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Selectivity data for probe A-1155463 and control A-1107969


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A-1155463


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
D1 DRD1 24.62
5-HT1B HTR1B 20.24
5-HT2B HTR2B 5.67
5-HT2C HTR2C 1.97
5-HT7A HTR7 -18.85
Alpha1B ADRA1B 0.97
Alpha1D ADRA1D 1.52
Alpha2B ADRA2B 17.23
D3 DRD3 2.01
DAT SLC6A3 -20.18
M1 CHRM1 -11.58
M3 CHRM3 -10.66
M4 CHRM4 -3.11
Sigma 2 TMEM97 83.05 806.12 6.09
5-HT1A HTR1A 5.18
5-HT5A HTR5A -3.10
5-HT6 HTR6 -1.75
Alpha2A ADRA2A 7.32
Alpha2C ADRA2C 10.75
D2 DRD2 31.52
GABAA 11.34
H3 HRH3 53.26 1806.76 5.74
M5 CHRM5 12.61
MOR OPRM1 15.45
NET SLC6A2 42.89
SERT SLC6A4 16.39
Sigma 1 SIGMAR1 53.30 136.40 6.87
Alpha1A ADRA1A -19.08
D4 DRD4 -3.48
D5 DRD5 40.78
DOR OPRD1 54.62 2118.36 5.67
KOR OPRK1 -14.88
GABA/PBR 61.06 793.96 6.10
M2 CHRM2 34.73
5-HT1D HTR1D 34.46
5-HT1E HTR1E -4.32
5-HT2A HTR2A 40.13
5-HT3 HTR3A 85.42 1142.60 average (n=3) 5.97
Beta2 ADRB2 27.05
Beta3 ADRB3 3.53
H2 HRH2 23.21
H1 HRH1 39.83
H4 HRH4 6.50
Beta1 ADRB1 -31.74
GABAA/BZP 36.84

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Primary results are shown as '% Ctrl', i.e. the negative control (DMSO) is equal 100% control and the positive control (control compound) is equal 0% control. For compounds showing less than 50% of control in the primary screening assay, a Kd will be determined. Note: It cannot be excluded that 0 % control values are due to assay artefacts.
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A-1155463


HGNC target name DiscoverX gene symbol of kinase % Control Compound Concentration [nM] Kd [nM]
AAK1 AAK1 91.0 1000
ABL1 ABL1-phosphorylated 93.0 1000
ABL2 ABL2 100.0 1000
ACVR1 ACVR1 100.0 1000
ACVR1B ACVR1B 100.0 1000
ACVR2A ACVR2A 94.0 1000
ACVR2B ACVR2B 100.0 1000
ACVRL1 ACVRL1 82.0 1000
COQ8A ADCK3 100.0 1000
COQ8B ADCK4 99.0 1000
AKT1 AKT1 100.0 1000
AKT2 AKT2 100.0 1000
AKT3 AKT3 100.0 1000
ALK ALK(L1196M) 100.0 1000
PRKAA1 AMPK-alpha1 100.0 1000
PRKAA2 AMPK-alpha2 99.0 1000
ANKK1 ANKK1 69.0 1000
NUAK1 ARK5 80.0 1000
MAP3K5 ASK1 94.0 1000
MAP3K6 ASK2 82.0 1000
AURKA AURKA 92.0 1000
AURKB AURKB 79.0 1000
AURKC AURKC 9.0 1000
AXL AXL 92.0 1000
BMP2K BIKE 97.0 1000
BLK BLK 92.0 1000
BMPR1A BMPR1A 99.0 1000
BMPR1B BMPR1B 84.0 1000
BMPR2 BMPR2 100.0 1000
BMX BMX 82.0 1000
BRAF BRAF(V600E) 79.0 1000
PTK6 BRK 96.0 1000
BRSK1 BRSK1 100.0 1000
BRSK2 BRSK2 93.0 1000
BTK BTK 96.0 1000
BUB1 BUB1 81.0 1000
CAMK1 CAMK1 93.0 1000
PNCK CAMK1B 100.0 1000
CAMK1D CAMK1D 90.0 1000
CAMK1G CAMK1G 94.0 1000
CAMK2A CAMK2A 64.0 1000
CAMK2B CAMK2B 79.0 1000
CAMK2D CAMK2D 72.0 1000
CAMK2G CAMK2G 62.0 1000
CAMK4 CAMK4 98.0 1000
CAMKK1 CAMKK1 87.0 1000
CAMKK2 CAMKK2 100.0 1000
CASK CASK 100.0 1000
CDK11B CDC2L1 93.0 1000
CDK11A CDC2L2 100.0 1000
CDK13 CDC2L5 100.0 1000
CDK19 CDK11 95.0 1000
CDK2 CDK2 100.0 1000
CDK3 CDK3 68.0 1000
CDK4 CDK4-cyclinD3 100.0 1000
CDK5 CDK5 100.0 1000
CDK7 CDK7 100.0 1000
CDK8 CDK8 69.0 1000
CDK9 CDK9 94.0 1000
CDKL1 CDKL1 100.0 1000
CDKL2 CDKL2 98.0 1000
CDKL3 CDKL3 100.0 1000
CDKL5 CDKL5 96.0 1000
CHEK1 CHEK1 89.0 1000
CHEK2 CHEK2 100.0 1000
CIT CIT 77.0 1000
CLK1 CLK1 88.0 1000
CLK2 CLK2 83.0 1000
CLK3 CLK3 86.0 1000
CLK4 CLK4 74.0 1000
CSF1R CSF1R-autoinhibited 87.0 1000
CSK CSK 90.0 1000
CSNK1A1 CSNK1A1 71.0 1000
CSNK1A1L CSNK1A1L 100.0 1000
CSNK1D CSNK1D 95.0 1000
CSNK1E CSNK1E 86.0 1000
CSNK1G1 CSNK1G1 91.0 1000
CSNK1G2 CSNK1G2 92.0 1000
CSNK1G3 CSNK1G3 100.0 1000
CSNK2A1 CSNK2A1 100.0 1000
CSNK2A2 CSNK2A2 100.0 1000
MATK CTK 96.0 1000
DAPK1 DAPK1 91.0 1000
DAPK2 DAPK2 90.0 1000
DAPK3 DAPK3 90.0 1000
DCLK1 DCAMKL1 72.0 1000
DCLK2 DCAMKL2 100.0 1000
DCLK3 DCAMKL3 100.0 1000
DDR1 DDR1 100.0 1000
DDR2 DDR2 83.0 1000
MAP3K12 DLK 100.0 1000
DMPK DMPK 100.0 1000
CDC42BPG DMPK2 90.0 1000
STK17A DRAK1 85.0 1000
STK17B DRAK2 72.0 1000
DYRK1A DYRK1A 88.0 1000
DYRK1B DYRK1B 87.0 1000
DYRK2 DYRK2 100.0 1000
EGFR EGFR(T790M) 100.0 1000
EIF2AK1 EIF2AK1 98.0 1000
EPHA1 EPHA1 100.0 1000
EPHA2 EPHA2 92.0 1000
EPHA3 EPHA3 91.0 1000
EPHA4 EPHA4 88.0 1000
EPHA5 EPHA5 98.0 1000
EPHA6 EPHA6 100.0 1000
EPHA7 EPHA7 99.0 1000
EPHA8 EPHA8 100.0 1000
EPHB1 EPHB1 100.0 1000
EPHB2 EPHB2 100.0 1000
EPHB3 EPHB3 100.0 1000
EPHB4 EPHB4 100.0 1000
EPHB6 EPHB6 100.0 1000
ERBB2 ERBB2 100.0 1000
ERBB3 ERBB3 100.0 1000
ERBB4 ERBB4 99.0 1000
MAPK3 ERK1 96.0 1000
MAPK1 ERK2 100.0 1000
MAPK6 ERK3 94.0 1000
MAPK4 ERK4 89.0 1000
MAPK7 ERK5 99.0 1000
MAPK15 ERK8 100.0 1000
ERN1 ERN1 84.0 1000
PTK2 FAK 100.0 1000
FER FER 100.0 1000
FES FES 100.0 1000
FGFR1 FGFR1 100.0 1000
FGFR2 FGFR2 98.0 1000
FGFR3 FGFR3(G697C) 88.0 1000
FGFR4 FGFR4 100.0 1000
FGR FGR 100.0 1000
FLT1 FLT1 92.0 1000
FLT3 FLT3-autoinhibited 95.0 1000
FLT4 FLT4 100.0 1000
FRK FRK 96.0 1000
FYN FYN 96.0 1000
GAK GAK 100.0 1000
EIF2AK4 GCN2(Kin.Dom.2,S808G) 83.0 1000
GRK1 GRK1 95.0 1000
GRK2 GRK2 100.0 1000
GRK3 GRK3 92.0 1000
GRK4 GRK4 100.0 1000
GRK7 GRK7 97.0 1000
GSK3A GSK3A 89.0 1000
GSK3B GSK3B 93.0 1000
HASPIN HASPIN 100.0 1000
HCK HCK 100.0 1000
HIPK1 HIPK1 75.0 1000
HIPK2 HIPK2 100.0 1000
HIPK3 HIPK3 87.0 1000
HIPK4 HIPK4 100.0 1000
MAP4K1 HPK1 93.0 1000
HUNK HUNK 56.0 1000
CILK1 ICK 100.0 1000
IGF1R IGF1R 98.0 1000
CHUK IKK-alpha 81.0 1000
IKBKB IKK-beta 72.0 1000
IKBKE IKK-epsilon 100.0 1000
INSR INSR 92.0 1000
INSRR INSRR 90.0 1000
IRAK1 IRAK1 100.0 1000
IRAK3 IRAK3 77.0 1000
IRAK4 IRAK4 100.0 1000
ITK ITK 100.0 1000
JAK1 JAK1(JH2domain-pseudokinase) 100.0 1000
JAK2 JAK2(JH1domain-catalytic) 100.0 1000
JAK3 JAK3(JH1domain-catalytic) 58.0 1000
MAPK8 JNK1 62.0 1000
MAPK9 JNK2 76.0 1000
MAPK10 JNK3 71.0 1000
KIT KIT-autoinhibited 85.0 1000
LATS1 LATS1 76.0 1000
LATS2 LATS2 95.0 1000
LCK LCK 100.0 1000
LIMK1 LIMK1 97.0 1000
LIMK2 LIMK2 96.0 1000
STK11 LKB1 100.0 1000
STK10 LOK 100.0 1000
LRRK2 LRRK2(G2019S) 100.0 1000
LTK LTK 100.0 1000
LYN LYN 100.0 1000
MAP3K13 LZK 96.0 1000
MAK MAK 100.0 1000
MAP3K1 MAP3K1 100.0 1000
MAP3K15 MAP3K15 99.0 1000
MAP3K2 MAP3K2 75.0 1000
MAP3K3 MAP3K3 90.0 1000
MAP3K4 MAP3K4 100.0 1000
MAP4K2 MAP4K2 100.0 1000
MAP4K3 MAP4K3 92.0 1000
MAP4K4 MAP4K4 96.0 1000
MAP4K5 MAP4K5 91.0 1000
MAPKAPK2 MAPKAPK2 88.0 1000
MAPKAPK5 MAPKAPK5 99.0 1000
MARK1 MARK1 93.0 1000
MARK2 MARK2 100.0 1000
MARK3 MARK3 38.0 1000
MARK4 MARK4 76.0 1000
MAST1 MAST1 89.0 1000
MAP2K1 MEK1 100.0 1000
MAP2K2 MEK2 100.0 1000
MAP2K3 MEK3 100.0 1000
MAP2K4 MEK4 100.0 1000
MAP2K5 MEK5 100.0 1000
MAP2K6 MEK6 100.0 1000
MELK MELK 78.0 1000
MERTK MERTK 100.0 1000
MET MET(Y1235D) 95.0 1000
MINK1 MINK 88.0 1000
MAP2K7 MKK7 69.0 1000
MKNK1 MKNK1 78.0 1000
MKNK2 MKNK2 75.0 1000
MYLK3 MLCK 78.0 1000
MAP3K9 MLK1 92.0 1000
MAP3K10 MLK2 100.0 1000
MAP3K11 MLK3 100.0 1000
CDC42BPA MRCKA 97.0 1000
CDC42BPB MRCKB 87.0 1000
STK4 MST1 100.0 1000
MST1R MST1R 99.0 1000
STK3 MST2 88.0 1000
STK24 MST3 93.0 1000
STK26 MST4 80.0 1000
MTOR MTOR 100.0 1000
MUSK MUSK 84.0 1000
MYLK MYLK 81.0 1000
MYLK2 MYLK2 100.0 1000
MYLK4 MYLK4 99.0 1000
MYO3A MYO3A 100.0 1000
MYO3B MYO3B 96.0 1000
STK38 NDR1 76.0 1000
STK38L NDR2 83.0 1000
NEK1 NEK1 100.0 1000
NEK10 NEK10 87.0 1000
NEK11 NEK11 100.0 1000
NEK2 NEK2 92.0 1000
NEK3 NEK3 100.0 1000
NEK4 NEK4 98.0 1000
NEK5 NEK5 87.0 1000
NEK6 NEK6 100.0 1000
NEK7 NEK7 99.0 1000
NEK9 NEK9 95.0 1000
MAP3K14 NIK 100.0 1000
NIM1K NIM1 100.0 1000
NLK NLK 80.0 1000
OXSR1 OSR1 86.0 1000
MAPK14 p38-alpha 100.0 1000
MAPK11 p38-beta 100.0 1000
MAPK13 p38-delta 97.0 1000
MAPK12 p38-gamma 89.0 1000
PAK1 PAK1 98.0 1000
PAK2 PAK2 93.0 1000
PAK3 PAK3 97.0 1000
PAK4 PAK4 96.0 1000
PAK6 PAK6 100.0 1000
PAK5 PAK7 91.0 1000
CDK16 PCTK1 100.0 1000
CDK17 PCTK2 99.0 1000
CDK18 PCTK3 100.0 1000
PDGFRA PDGFRA 100.0 1000
PDGFRB PDGFRB 94.0 1000
PDPK1 PDPK1 100.0 1000
CDPK1 PFCDPK1(P.falciparum) 100.0 1000
PK5 PFPK5(P.falciparum) 100.0 1000
CDK15 PFTAIRE2 100.0 1000
CDK14 PFTK1 100.0 1000
PHKG1 PHKG1 98.0 1000
PHKG2 PHKG2 100.0 1000
PIK3C2B PIK3C2B 100.0 1000
PIK3C2G PIK3C2G 100.0 1000
PIK3CA PIK3CA(Q546K) 79.0 1000
PIK3CB PIK3CB 100.0 1000
PIK3CD PIK3CD 100.0 1000
PIK3CG PIK3CG 100.0 1000
PI4KB PIK4CB 100.0 1000
PIKFYVE PIKFYVE 100.0 1000
PIM1 PIM1 100.0 1000
PIM2 PIM2 100.0 1000
PIM3 PIM3 91.0 1000
PIP5K1A PIP5K1A 100.0 1000
PIP5K1C PIP5K1C 100.0 1000
PIP4K2B PIP5K2B 80.0 1000
PIP4K2C PIP5K2C 100.0 1000
PRKACA PKAC-alpha 89.0 1000
PRKACB PKAC-beta 100.0 1000
PKMYT1 PKMYT1 71.0 1000
PKN1 PKN1 91.0 1000
PKN2 PKN2 100.0 1000
PKNB PKNB(M.tuberculosis) 100.0 1000
PLK1 PLK1 100.0 1000
PLK2 PLK2 94.0 1000
PLK3 PLK3 92.0 1000
PLK4 PLK4 77.0 1000
PRKCD PRKCD 100.0 1000
PRKCE PRKCE 100.0 1000
PRKCH PRKCH 74.0 1000
PRKCI PRKCI 100.0 1000
PRKCQ PRKCQ 92.0 1000
PRKD1 PRKD1 100.0 1000
PRKD2 PRKD2 84.0 1000
PRKD3 PRKD3 93.0 1000
PRKG1 PRKG1 100.0 1000
PRKG2 PRKG2 86.0 1000
EIF2AK2 PRKR 100.0 1000
PRKX PRKX 98.0 1000
PRPF4B PRP4 100.0 1000
PTK2B PYK2 100.0 1000
SIK3 QSK 77.0 1000
RAF1 RAF1 97.0 1000
RET RET(V804M) 98.0 1000
RIOK1 RIOK1 91.0 1000
RIOK2 RIOK2 100.0 1000
RIOK3 RIOK3 86.0 1000
RIPK1 RIPK1 92.0 1000
RIPK2 RIPK2 100.0 1000
RIPK4 RIPK4 100.0 1000
DSTYK RIPK5 100.0 1000
ROCK1 ROCK1 100.0 1000
ROCK2 ROCK2 100.0 1000
ROS1 ROS1 93.0 1000
RPS6KA4 RPS6KA4(Kin.Dom.2-C-terminal) 96.0 1000
RPS6KA5 RPS6KA5(Kin.Dom.2-C-terminal) 83.0 1000
RPS6KA1 RSK1(Kin.Dom.2-C-terminal) 93.0 1000
RPS6KA3 RSK2(Kin.Dom.2-C-terminal) 100.0 1000
RPS6KA2 RSK3(Kin.Dom.2-C-terminal) 94.0 1000
RPS6KA6 RSK4(Kin.Dom.2-C-terminal) 97.0 1000
RPS6KB1 S6K1 100.0 1000
SBK1 SBK1 100.0 1000
SGK1 SGK 100.0 1000
SBK3 SgK110 100.0 1000
SGK2 SGK2 100.0 1000
SGK3 SGK3 100.0 1000
SIK1 SIK 100.0 1000
SIK2 SIK2 96.0 1000
SLK SLK 100.0 1000
NUAK2 SNARK 82.0 1000
SNRK SNRK 100.0 1000
SRC SRC 100.0 1000
SRMS SRMS 100.0 1000
SRPK1 SRPK1 100.0 1000
SRPK2 SRPK2 100.0 1000
SRPK3 SRPK3 100.0 1000
STK16 STK16 92.0 1000
STK33 STK33 100.0 1000
STK35 STK35 86.0 1000
STK36 STK36 99.0 1000
STK39 STK39 100.0 1000
SYK SYK 100.0 1000
MAP3K7 TAK1 100.0 1000
TAOK1 TAOK1 100.0 1000
TAOK2 TAOK2 100.0 1000
TAOK3 TAOK3 100.0 1000
TBK1 TBK1 100.0 1000
TEC TEC 97.0 1000
TESK1 TESK1 100.0 1000
TGFBR1 TGFBR1 100.0 1000
TGFBR2 TGFBR2 83.0 1000
TIE1 TIE1 85.0 1000
TEK TIE2 100.0 1000
TLK1 TLK1 86.0 1000
TLK2 TLK2 100.0 1000
TNIK TNIK 83.0 1000
TNK1 TNK1 98.0 1000
TNK2 TNK2 100.0 1000
TNNI3K TNNI3K 100.0 1000
NTRK1 TRKA 100.0 1000
NTRK2 TRKB 100.0 1000
NTRK3 TRKC 100.0 1000
TRPM6 TRPM6 84.0 1000
TSSK1B TSSK1B 70.0 1000
TSSK3 TSSK3 84.0 1000
TTK TTK 92.0 1000
TXK TXK 100.0 1000
TYK2 TYK2(JH2domain-pseudokinase) 75.0 1000
TYRO3 TYRO3 94.0 1000
ULK1 ULK1 100.0 1000
ULK2 ULK2 100.0 1000
ULK3 ULK3 100.0 1000
KDR VEGFR2 100.0 1000
PIK3C3 VPS34 100.0 1000
VRK2 VRK2 100.0 1000
WEE1 WEE1 100.0 1000
WEE2 WEE2 100.0 1000
WNK1 WNK1 90.0 1000
WNK2 WNK2 96.0 1000
WNK3 WNK3 100.0 1000
WNK4 WNK4 81.0 1000
STK32A YANK1 100.0 1000
STK32B YANK2 95.0 1000
STK32C YANK3 75.0 1000
YES1 YES 100.0 1000
STK25 YSK1 100.0 1000
MAP3K19 YSK4 95.0 1000
MAP3K20 ZAK 100.0 1000
ZAP70 ZAP70 100.0 1000

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A-1155463

Compound binding was calculated as a % inhibition of the binding of a radioactively labeled ligand specific for each target. Results showing an inhibition higher than 50 % are considered to represent significant effects of the probe. The results are expressed as a percent inhibition of control specific activity: 100-((measured specific activity/ control specific activity) * 100). Low to moderate negative values have no real meaning and are attributable to variability of the signal around the control level. High negative values (≥ 50 %) that are sometimes obtained with high concentrations of test compounds are generally attributable to nonspecific effects of the test compounds in the assays.

Conclusion: Closest off targets for the probe at 10 µM are PPARγ (99.1 % inhibition), CCK1 (98.9 %), UT (94.9 %), δ (DOP) (77.9 %), MAO-A (74.5 %), A3 (71.6 %), H1 (69.2 %). However, there is some indication that some hits might be false positives due to insoluble aggregates under serum free conditions. In a BioProfiling screen, which involves FLIPR and related assay formats which are typically performed with 10% serum and assessing both agonist and antagonist interactions, no signals were observed at 10 µM for 5HT1A, 5HT2A, 2B, A1, Alpa1A, Alpha2A, B2, Beta1, CB1, Cav1.2, D2L, ETA, ETB, H1, M2, opioid mu, and PPARγ.

Target protein HGNC name Species Cmp. conc. Mean [% Inhibition of Control Specific Binding] First measurement Second measurement Reference compound name Reference compound IC50 [nM] Assay ID
A1 (h) ADORA1 Homo sapiens 10 µM 60.6 60.40 60.80 DPCPX 1.60 Cerep_2
A2A (h) ADORA2A Homo sapiens 10 µM 51.8 56.90 46.60 NECA 26.00 Cerep_4
A2B (h) ADORA2B Homo sapiens 10 µM 32.8 34.30 31.20 NECA 750.00 Cerep_5
A3 (h) ADORA3 Homo sapiens 10 µM 71.6 71.60 71.60 IB-MECA 0.36 Cerep_6
Alpha1A (h) ADRA1A Homo sapiens 10 µM 6.7 6.90 6.40 WB 4101 0.27 Cerep_2338
Alpha1B (h) ADRA1B Homo sapiens 10 µM 15.5 10.40 20.60 prazosin 0.19 Cerep_1633
Alpha2A (h) ADRA2A Homo sapiens 10 µM 12.1 11.10 13.10 yohimbine 9.60 Cerep_13
Alpha2B (h) ADRA2B Homo sapiens 10 µM -2.5 10.80 -15.70 yohimbine 7.70 Cerep_1344
Beta1 (h) ADRB1 Homo sapiens 10 µM 1.4 -4.40 7.20 atenolol 360.00 Cerep_18
Beta2 (h) ADRB2 Homo sapiens 10 µM -7.0 -7.90 -6.10 ICI 118551 0.75 Cerep_20
AT1 (h) AGTR1 Homo sapiens 10 µM 20.5 24.00 17.00 saralasin 0.48 Cerep_24
AT2 (h) AGTR2 Homo sapiens 10 µM 1.1 -1.40 3.60 angiotensin-II 0.09 Cerep_26
BZD (central) Rattus norvegicus 10 µM 18.1 14.20 21.90 diazepam 11.00 Old_Cerep_37
BZD (peripheral) Rattus norvegicus 10 µM 41.3 47.70 35.00 PK 11195 1.20 Old_Cerep_10
B2 (h) BDKRB2 Homo sapiens 10 µM -7.0 -15.80 1.80 NPC 567 15.00 Cerep_33
CGRP (h) CALCRL Homo sapiens 10 µM -6.8 -11.10 -2.60 hCGRPalpha 0.04 Cerep_373
CB1 (h) CNR1 Homo sapiens 10 µM 2.6 4.30 0.80 CP 55940 2.80 Cerep_4708
CB2 (h) CNR2 Homo sapiens 10 µM 4.1 3.20 4.90 WIN 55212-2 2.60 Cerep_37
CCK1 (CCKA) (h) CCKAR Homo sapiens 10 µM 98.9 103.70 94.10 CCK-8s 0.08 Cerep_39
D1 (h) DRD1 Homo sapiens 10 µM 26.2 28.20 24.20 SCH 23390 0.49 Cerep_44
D2S (h) DRD2 Homo sapiens 10 µM 27.1 29.60 24.60 (+)butaclamol 3.40 Old_Cerep_1322
ETA (h) EDNRA Homo sapiens 10 µM -2.2 -4.80 0.40 endothelin-1 0.04 Cerep_54
ETB (h) EDNRB Homo sapiens 10 µM 9.6 0.50 18.60 endothelin-3 0.03 Cerep_56
GABAA1 (h) (alpha1,beta2,gamma2) GABRA1 Homo sapiens 10 µM -2.9 -2.30 -3.50 muscimol 75.00 Cerep_3051
NMDA Rattus norvegicus 10 µM 21.6 18.90 24.30 CGS 19755 280.00 Cerep_66
TNF-alpha (h) TNFRSF1A Homo sapiens 10 µM -6.3 -18.10 5.40 TNF-alpha 0.16 Cerep_76
H1 (h) HRH1 Homo sapiens 10 µM 69.2 68.20 70.20 pyrilamine 1.70 Cerep_870
H2 (h) HRH2 Homo sapiens 10 µM -11.6 -19.40 -3.80 cimetidine 370.00 Cerep_1208
MT2 (ML1B) (h) MTNR1B Homo sapiens 10 µM 20.1 20.30 19.80 melatonin 0.24 Cerep_1687
MAO-A MAOA Rattus norvegicus 10 µM 74.5 72.60 76.50 clorgyline 1.70 Cerep_443
motilin (h MLNR Homo sapiens 10 µM -21.6 -10.70 -32.60 [Nleu13]-motilin 0.97 Cerep_470
M1 (h) CHRM1 Homo sapiens 10 µM 19.1 18.20 20.00 pirenzepine 30.00 Cerep_91
M2 (h) CHRM2 Homo sapiens 10 µM 28.6 30.10 27.20 methoctramine 44.00 Cerep_93
M3 (h) CHRM3 Homo sapiens 10 µM 17.4 15.00 19.80 4-DAMP 1.60 Cerep_95
M4 (h) CHRM4 Homo sapiens 10 µM 13.8 6.90 20.70 4-DAMP 0.45 Cerep_96
M5 (h) CHRM5 Homo sapiens 10 µM 10.3 4.90 15.70 4-DAMP 1.00 Cerep_97
NK1 (h) TACR1 Homo sapiens 10 µM 3.3 4.70 2.00 [Sar9,Met(O2)11]-SP 0.57 Cerep_100
NK2 (h) TACR2 Homo sapiens 10 µM 25.6 28.60 22.50 [Nleu10]-NKA (4-10) 3.10 Cerep_102
Y1 (h) NPY1R Homo sapiens 10 µM 12.5 7.60 17.50 NPY 0.16 Cerep_106
delta (DOP) (h) OPRD1 Homo sapiens 10 µM 77.9 74.20 81.70 DPDPE 2.80 Cerep_114
kappa (h) (KOP) OPRK1 Homo sapiens 10 µM 34.4 28.00 40.80 U50488 0.81 Cerep_4461
mu (MOP) (h) OPRM1 Homo sapiens 10 µM 36.1 34.30 37.90 DAMGO 1.30 Cerep_118
PPARgamma (h) PPARG Homo sapiens 10 µM 99.1 100.10 98.10 rosiglitazone 13.00 Cerep_641
PCP Rattus norvegicus 10 µM 7.8 13.00 2.70 MK 801 12.00 Old_Cerep_32
EP2 (h) PTGER2 Homo sapiens 10 µM 33.8 28.30 39.20 PGE2 2.90 Cerep_1955
P2X Rattus norvegicus 10 µM 13.5 13.80 13.10 alpha,beta-MeATP 7.50 Old_Cerep_127
5-HT1A (h) HTR1A Homo sapiens 10 µM 32.2 33.10 31.30 8-OH-DPAT 0.67 Cerep_131
5-HT1B(h) HTR1B Homo sapiens 10 µM -7.1 -2.50 -11.80 Serotonine 100.00 Cerep_4376
5-HT2A (h) HTR2A Homo sapiens 10 µM 44.3 38.50 50.10 ketanserin 0.56 Cerep_135
5-HT2B (h) HTR2B Homo sapiens 10 µM -46.8 -43.30 -50.30 (±)DOI 3.40 Cerep_1333
5-HT2C (h) HTR2C Homo sapiens 10 µM 4.7 15.90 -6.40 RS 102221 4.20 Cerep_137
5-HT3 (h) HTR3A Homo sapiens 10 µM 2.0 3.10 1.00 MDL 72222 9.10 Cerep_411
5-HT4 e (h) HTR4 Homo sapiens 10 µM 6.7 4.80 8.50 serotonin 210.00 Cerep_501
5-HT7 (h) HTR7 Homo sapiens 10 µM 16.9 19.20 14.60 serotonin 0.58 Cerep_144
sigma (non-selective) (h) Homo sapiens 10 µM 57.8 55.20 60.40 haloperidol 40.00 Cerep_3500
GR (h) NR3C1 Homo sapiens 10 µM 37.8 38.60 37.00 dexamethasone 2.70 Cerep_469
Estrogen ER alpha (h) ESR1 Homo sapiens 10 µM 11.9 13.20 10.70 Diethylstilbestrol 0.41 Cerep_5484
AR (h) AR Homo sapiens 10 µM -1.8 -9.30 5.70 testosterone 4.80 Cerep_933
UT (h) UTS2R Homo sapiens 10 µM 94.9 94.70 95.10 urotensin-II 0.76 Cerep_1386
VPAC1 (VIP1) (h) VIPR1 Homo sapiens 10 µM -8.1 1.60 -17.70 VIP 0.77 Cerep_157
V1 a (h) AVPR1A Homo sapiens 10 µM 5.3 7.60 2.90 [d(CH2)5 1,Tyr(Me)2]-AVP 1.60 Cerep_159
Ca2+ channel (L, dihydropyridine site) Rattus norvegicus 10 µM -21.8 -12.20 -31.50 nitrendipine 0.15 Cerep_161
Ca2+ channel (L, diltiazem site) (benzothiazepines) CACNA1C Rattus norvegicus 10 µM 10.8 20.40 1.20 diltiazem 83.00 Cerep_162
KATP channel Rattus norvegicus 10 µM 27.4 30.50 24.40 glibenclamide 0.28 Old_Cerep_38
SKCa channel Rattus norvegicus 10 µM -3.7 2.30 -9.70 apamin 0.04 Cerep_167
Na+ channel (site 2) Rattus norvegicus 10 µM 32.3 32.60 32.00 veratridine 8700.00 Old_Cerep_169
Cl- channel (GABA-gated) Rattus norvegicus 10 µM 9.9 8.80 11.00 picrotoxinin 230.00 Old_Cerep_16
norepinephrine transporter (h) SLC6A2 Homo sapiens 10 µM 20.9 19.90 21.90 protriptyline 3.90 Cerep_355
dopamine transporter (h) SLC6A3 Homo sapiens 10 µM 31.6 33.00 30.20 BTCP 8.50 Cerep_52
GABA transporter Rattus norvegicus 10 µM 17.3 19.20 15.40 nipecotic acid 2200.00 Cerep_60
5-HT transporter (h) SCL6A4 Homo sapiens 10 µM 8.5 9.00 7.90 imipramine 2.70 Cerep_439
 

A-1107969

Conclusion: Closest off targets for the control PPARγ (98.2 % inhibition), BZD (peripheral) (77.2 %), CCK1/sub> (68.9 %), UT (62.2 %). However, there is some indication that some hits might be false positives due to insoluble aggregates under serum free conditions. In a BioProfiling screen, which involves FLIPR and related assay formats which are typically performed with 10% serum and assessing both agonist and antagonist interactions, no signals were observed at 10 µM for 5HT1A, 5HT2A, 2B, A1, Alpa1A, Alpha2A, B2, Beta1, CB1, Cav1.2, D2L, ETA, ETB, H1, M2, opioid mu, and PPARγ.

Target protein HGNC name Species Cmp. conc. Mean [% Inhibition of Control Specific Binding] First measurement Second measurement Reference compound name Reference compound IC50 [nM] Assay ID
motilin (h MLNR Homo sapiens 10 µM 2.2 13.4 -9.0 [Nleu13]-motilin 1.0 Cerep_470
A1 (h) ADORA1 Homo sapiens 10 µM 7.9 4.5 11.3 DPCPX 1.6 Cerep_2
A2A (h) ADORA2A Homo sapiens 10 µM 28.3 31.8 24.9 NECA 26.0 Cerep_4
A2B (h) ADORA2B Homo sapiens 10 µM -14.8 -14.8 -14.7 NECA 750.0 Cerep_5
A3 (h) ADORA3 Homo sapiens 10 µM 54.0 57.3 50.7 IB-MECA 0.4 Cerep_6
Alpha1A (h) ADRA1A Homo sapiens 10 µM -6.1 -6.9 -5.3 WB 4101 0.3 Cerep_2338
Alpha1B (h) ADRA1B Homo sapiens 10 µM -4.7 -0.8 -8.5 prazosin 0.2 Cerep_1633
Alpha2A (h) ADRA2A Homo sapiens 10 µM 1.9 -4.8 8.5 yohimbine 9.6 Cerep_13
Alpha2B (h) ADRA2B Homo sapiens 10 µM -17.8 -16.4 -19.2 yohimbine 7.7 Cerep_1344
Beta1 (h) ADRB1 Homo sapiens 10 µM -0.4 -7.1 6.3 atenolol 360.0 Cerep_18
Beta2 (h) ADRB2 Homo sapiens 10 µM -6.9 -8.9 -4.8 ICI 118551 0.8 Cerep_20
AT1 (h) AGTR1 Homo sapiens 10 µM -3.5 -6.7 -0.2 saralasin 0.5 Cerep_24
AT2 (h) AGTR2 Homo sapiens 10 µM 1.5 0.6 2.5 angiotensin-II 0.1 Cerep_26
BZD (central) Rattus norvegicus 10 µM 17.3 9.9 24.7 diazepam 11.0 Old_Cerep_37
BZD (peripheral) Rattus norvegicus 10 µM 77.2 78.3 76.0 PK 11195 1.2 Old_Cerep_10
B2 (h) BDKRB2 Homo sapiens 10 µM -20.2 -12.0 -28.5 NPC 567 15.0 Cerep_33
CGRP (h) CALCRL Homo sapiens 10 µM -9.4 -12.5 -6.3 hCGRPalpha 0.0 Cerep_373
CB1 (h) CNR1 Homo sapiens 10 µM -4.1 -8.3 0.1 CP 55940 2.8 Cerep_4708
CB2 (h) CNR2 Homo sapiens 10 µM -9.9 -9.7 -10.1 WIN 55212-2 2.6 Cerep_37
CCK1 (CCKA) (h) CCKAR Homo sapiens 10 µM 68.9 77.2 60.7 CCK-8s 0.1 Cerep_39
D1 (h) DRD1 Homo sapiens 10 µM 3.5 3.8 3.1 SCH 23390 0.5 Cerep_44
D2S (h) DRD2 Homo sapiens 10 µM 13.5 11.7 15.3 (+)butaclamol 3.4 Old_Cerep_1322
ETA (h) EDNRA Homo sapiens 10 µM -5.1 -7.4 -2.8 endothelin-1 0.0 Cerep_54
ETB (h) EDNRB Homo sapiens 10 µM 0.8 2.8 -1.1 endothelin-3 0.0 Cerep_56
GABAA1 (h) (alpha1,beta2,gamma2) GABRA1 Homo sapiens 10 µM -19.5 -18.6 -20.3 muscimol 75.0 Cerep_3051
NMDA Rattus norvegicus 10 µM 7.8 15.5 0.1 CGS 19755 280.0 Cerep_66
TNF-alpha (h) TNFRSF1A Homo sapiens 10 µM -1.7 -7.2 3.8 TNF-alpha 0.2 Cerep_76
H1 (h) HRH1 Homo sapiens 10 µM -9.3 -10.9 -7.8 pyrilamine 1.7 Cerep_870
H2 (h) HRH2 Homo sapiens 10 µM -11.0 -10.8 -11.1 cimetidine 370.0 Cerep_1208
MT2 (ML1B) (h) MTNR1B Homo sapiens 10 µM 8.7 11.1 6.3 melatonin 0.2 Cerep_1687
MAO-A MAOA Rattus norvegicus 10 µM 11.1 11.0 11.2 clorgyline 1.7 Cerep_443
M1 (h) CHRM1 Homo sapiens 10 µM -1.6 -0.9 -2.4 pirenzepine 30.0 Cerep_91
M2 (h) CHRM2 Homo sapiens 10 µM -7.3 -8.1 -6.4 methoctramine 44.0 Cerep_93
M3 (h) CHRM3 Homo sapiens 10 µM -4.4 -4.3 -4.5 4-DAMP 1.6 Cerep_95
M4 (h) CHRM4 Homo sapiens 10 µM 8.6 5.8 11.5 4-DAMP 0.5 Cerep_96
M5 (h) CHRM5 Homo sapiens 10 µM 8.8 6.4 11.2 4-DAMP 1.0 Cerep_97
NK1 (h) TACR1 Homo sapiens 10 µM 8.7 1.0 16.3 [Sar9,Met(O2)11]-SP 0.6 Cerep_100
NK2 (h) TACR2 Homo sapiens 10 µM 5.3 -2.1 12.7 [Nleu10]-NKA (4-10) 3.1 Cerep_102
Y1 (h) NPY1R Homo sapiens 10 µM -0.4 4.2 -5.0 NPY 0.2 Cerep_106
delta (DOP) (h) OPRD1 Homo sapiens 10 µM -1.8 -12.3 8.6 DPDPE 2.8 Cerep_114
kappa (h) (KOP) OPRK1 Homo sapiens 10 µM 17.0 18.1 15.8 U50488 0.8 Cerep_4461
mu (MOP) (h) OPRM1 Homo sapiens 10 µM 6.0 5.7 6.3 DAMGO 1.3 Cerep_118
PPARgamma (h) PPARG Homo sapiens 10 µM 98.2 99.2 97.2 rosiglitazone 13.0 Cerep_641
PCP Rattus norvegicus 10 µM 2.8 10.7 -5.2 MK 801 12.0 Old_Cerep_32
EP2 (h) PTGER2 Homo sapiens 10 µM 60.3 57.7 63.0 PGE2 2.9 Cerep_1955
P2X Rattus norvegicus 10 µM -0.4 -11.4 10.6 alpha,beta-MeATP 7.5 Old_Cerep_127
5-HT1A (h) HTR1A Homo sapiens 10 µM -1.0 4.1 -6.1 8-OH-DPAT 0.7 Cerep_131
5-HT1B(h) HTR1B Homo sapiens 10 µM -39.6 -47.4 -31.9 Serotonine 100.0 Cerep_4376
5-HT2A (h) HTR2A Homo sapiens 10 µM -0.6 -0.4 -0.8 ketanserin 0.6 Cerep_135
5-HT2B (h) HTR2B Homo sapiens 10 µM -44.2 -41.5 -46.8 (±)DOI 3.4 Cerep_1333
5-HT2C (h) HTR2C Homo sapiens 10 µM 1.7 4.1 -0.7 RS 102221 4.2 Cerep_137
5-HT3 (h) HTR3A Homo sapiens 10 µM -5.7 -19.5 8.1 MDL 72222 9.1 Cerep_411
5-HT4 e (h) HTR4 Homo sapiens 10 µM -4.0 -8.8 0.8 serotonin 210.0 Cerep_501
5-HT7 (h) HTR7 Homo sapiens 10 µM 11.4 11.2 11.5 serotonin 0.6 Cerep_144
sigma (non-selective) (h) Homo sapiens 10 µM -47.8 -32.7 -63.0 haloperidol 40.0 Cerep_3500
GR (h) NR3C1 Homo sapiens 10 µM 55.4 54.0 56.9 dexamethasone 2.7 Cerep_469
Estrogen ER alpha (h) ESR1 Homo sapiens 10 µM 8.4 13.1 3.8 Diethylstilbestrol 0.4 Cerep_5484
AR (h) AR Homo sapiens 10 µM -12.1 -6.4 -17.8 testosterone 4.8 Cerep_933
UT (h) UTS2R Homo sapiens 10 µM 62.2 62.0 62.4 urotensin-II 0.8 Cerep_1386
VPAC1 (VIP1) (h) VIPR1 Homo sapiens 10 µM -8.2 -7.0 -9.3 VIP 0.8 Cerep_157
V1 a (h) AVPR1A Homo sapiens 10 µM 4.8 -0.6 10.1 [d(CH2)5 1,Tyr(Me)2]-AVP 1.6 Cerep_159
Ca2+ channel (L, dihydropyridine site) Rattus norvegicus 10 µM -2.2 -2.4 -2.0 nitrendipine 0.2 Cerep_161
Ca2+ channel (L, diltiazem site) (benzothiazepines) CACNA1C Rattus norvegicus 10 µM 16.2 9.4 23.0 diltiazem 83.0 Cerep_162
KATP channel Rattus norvegicus 10 µM 15.8 17.1 14.5 glibenclamide 0.3 Old_Cerep_38
SKCa channel Rattus norvegicus 10 µM -12.2 -3.9 -20.5 apamin 0.0 Cerep_167
Na+ channel (site 2) Rattus norvegicus 10 µM 3.3 9.2 -2.7 veratridine 8700.0 Old_Cerep_169
Cl- channel (GABA-gated) Rattus norvegicus 10 µM 11.2 11.8 10.6 picrotoxinin 230.0 Old_Cerep_16
norepinephrine transporter (h) SLC6A2 Homo sapiens 10 µM -4.0 -0.1 -7.8 protriptyline 3.9 Cerep_355
dopamine transporter (h) SLC6A3 Homo sapiens 10 µM 3.6 -1.6 8.7 BTCP 8.5 Cerep_52
GABA transporter Rattus norvegicus 10 µM -1.5 -4.5 1.6 nipecotic acid 2200.0 Cerep_60
5-HT transporter (h) SCL6A4 Homo sapiens 10 µM -2.3 -3.6 -0.9 imipramine 2.7 Cerep_439

A-1155463

Results showing an inhibition higher than 50 % are considered to represent significant effects of the probe. The results are expressed as a percent inhibition of control specific activity: 100-((measured specific activity/ control specific activity) * 100). Low to moderate negative values have no real meaning and are attributable to variability of the signal around the control level. High negative values (≥ 50%) that are sometimes obtained with high concentrations of test compounds are generally attributable to nonspecific effects of the test compounds in the assays.

Conclusion: Closest off-target for the probe A-1155463 is COX2 (62.2 % inhibition).

Target protein HGNC name Species Cmp. conc. Mean [% Inhibition of Control Values] First measurement Second measurement Reference compound name Reference compound IC50 [nM] Assay ID
COX1(h) PTGS1 Homo sapiens 10 µM 39.5 34.90 44.00 Diclofenac 27.00 Cerep_4173
COX2(h) PTGS2 Homo sapiens 10 µM 62.2 66.60 57.80 NS398 180.00 Cerep_4186
PDE3A (h) PDE3A Homo sapiens 10 µM -17.3 -25.50 -9.10 milrinone 430.00 Cerep_4072
ACE (h) ACE Homo sapiens 10 µM 22.1 26.30 17.90 captopril 0.76 Cerep_3441
Acetylcholinesterase (h) ACHE Homo sapiens 10 µM 7.1 4.60 9.60 galanthamine 640.00 Cerep_363
MAO-B (h) recombinant enzyme MAOB Homo sapiens 10 µM -2.2 5.30 -9.80 deprenyl 56.00 Cerep_3477
ATPase (Na+/K+) Sus scrofa 10 µM 2.0 2.50 1.50 ouabain 250.00 Cerep_2009
 

A-1107969

Conclusion: Closest off-targets for the control are COX1 (68.2 %) and COX2 (65.5 %).

Target protein HGNC name Species Cmp. conc. Mean [% Inhibition of Control Values] First measurement Second measurement Reference compound name Reference compound IC50 [nM] Assay ID
COX1(h) PTGS1 Homo sapiens 10 µM 68.2 66.4 70.0 Diclofenac 27.0 Cerep_4173
COX2(h) PTGS2 Homo sapiens 10 µM 65.5 68.5 62.4 NS398 180.0 Cerep_4186
PDE3A (h) PDE3A Homo sapiens 10 µM -7.5 -12.2 -2.9 milrinone 430.0 Cerep_4072
ACE (h) ACE Homo sapiens 10 µM -17.0 -18.5 -15.6 captopril 0.8 Cerep_3441
Acetylcholinesterase (h) ACHE Homo sapiens 10 µM 14.5 13.1 16.0 galanthamine 640.0 Cerep_363
MAO-B (h) recombinant enzyme MAOB Homo sapiens 10 µM -2.0 7.4 -11.5 deprenyl 56.0 Cerep_3477
ATPase (Na+/K+) Sus scrofa 10 µM 12.6 14.4 10.7 ouabain 250.0 Cerep_2009