Selectivity data for probe TP-050 and control TP-050n


Jump to control PDSP data

TP-050


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
H2 HRH2 3.64
Beta3 ADRB3 -3.80
5-HT1B HTR1B 21.66
5-HT1D HTR1D 90.77 > 10000.00 average (n=2) < 5.00
5-HT1A HTR1A -5.40
5-HT1E HTR1E 6.65
5-HT2A HTR2A -5.37
5-HT2B HTR2B 42.67
5-HT2C HTR2C 13.13
5-HT3 HTR3A 0.11
5-HT5A HTR5A 7.54
5-HT6 HTR6 8.34
5-HT7A HTR7 -18.52
Alpha1A ADRA1A -27.18
Alpha1B ADRA1B -6.73
Alpha1D ADRA1D 10.59
Alpha2A ADRA2A 15.88
Alpha2B ADRA2B 6.16
Alpha2C ADRA2C -1.11
Beta1 ADRB1 4.09
Beta2 ADRB2 -1.62
GABAA/BZP -11.27
D1 DRD1 1.34
D2 DRD2 9.18
D3 DRD3 32.95
D4 DRD4 48.55
D5 DRD5 19.32
DAT SLC6A3 54.84 9530.16 5.02
DOR OPRD1 -4.95
H1 HRH1 31.69
H3 HRH3 34.83
H4 HRH4 25.23
KOR OPRK1 2.27
M1 CHRM1 12.52
M2 CHRM2 4.32
M3 CHRM3 11.87
M4 CHRM4 4.14
M5 CHRM5 17.95
MOR OPRM1 0.85
NET SLC6A2 -4.00
GABA/PBR 83.17 336.05 6.47
SERT SLC6A4 -18.77
Sigma 1 SIGMAR1 1.48
Sigma 2 TMEM97 10.88

TP-050n


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
H2 HRH2 7.11
Beta3 ADRB3 -5.75
5-HT1B HTR1B 27.66
5-HT1D HTR1D 15.46
5-HT1A HTR1A -6.45
5-HT1E HTR1E 3.73
5-HT2A HTR2A -9.06
5-HT2B HTR2B 12.01
5-HT2C HTR2C -9.20
5-HT3 HTR3A -1.27
5-HT5A HTR5A -7.46
5-HT6 HTR6 -6.08
5-HT7A HTR7 -11.57
Alpha1A ADRA1A -21.56
Alpha1B ADRA1B 1.49
Alpha1D ADRA1D -4.44
Alpha2A ADRA2A 18.99
Alpha2B ADRA2B 1.85
Alpha2C ADRA2C -9.92
Beta1 ADRB1 -0.27
Beta2 ADRB2 -15.96
GABAA/BZP 1.81
D1 DRD1 -0.90
D2 DRD2 5.88
D3 DRD3 4.06
D4 DRD4 -5.71
D5 DRD5 -17.41
DAT SLC6A3 57.57 > 10000.00 < 5.00
DOR OPRD1 -8.09
H1 HRH1 -2.74
H3 HRH3 -5.14
H4 HRH4 20.44
KOR OPRK1 22.57
M1 CHRM1 -8.98
M2 CHRM2 -15.40
M3 CHRM3 -25.59
M4 CHRM4 -0.32
M5 CHRM5 -14.83
MOR OPRM1 -0.10
NET SLC6A2 -2.17
GABA/PBR 21.28
SERT SLC6A4 0.68
Sigma 1 SIGMAR1 33.37
Sigma 2 TMEM97 15.85

Jump to PDSP top

TP-050

The assay was done at 10 µM compound.

Conclusion: Closest hit is PDE3A (IC50 = 7.9 µM).

Target protein HGNC name Species IC50 [µM] Reference compound Reference compound IC50 [nM] Mode of action Source
CAV1.2 CACNA1C Homo sapiens > 10.0 Isradipine 23.00 Blocker
GABAA GABRA1 Homo sapiens > 10.0 Picrotoxin 4400.00 Blocker
hERG KCNH2 Homo sapiens > 10.0 astemizole 230.00 Blocker
HTR3A HTR3A Homo sapiens > 10.0 Bemesetron 2.10 Blocker
KvLQT1/minK KCNQ1 Homo sapiens > 10.0 XE 991 1000.00 Blocker
nAChR(a4/b2) CHRNA4 Homo sapiens > 10.0 Dihydro-ß-erythroidine 730.00 Blocker
NAV1.5 SCN5A Homo sapiens > 10.0 Lidocaine 21000.00 Blocker
NMDAR (1A/2B) GRIN1 Homo sapiens > 10.0 (+)-MK 801 33.00 Blocker
INSR INSR Homo sapiens > 10.0 BMS-754807 0.68 Inhibitor Wild Type; Partial Length (Start/Stop: P997/E1318); Mammalian Expression
LCK LCK Homo sapiens > 10.0 Gleevec 34.00 Inhibitor Wild Type; Partial Length (Start/Stop: R207/P509); Bacterial Expression
ROCK1 ROCK1 Homo sapiens > 10.0 Staurosporine 0.27 Inhibitor Wild Type; Partial Length (Start/Stop: M1/R415); Mammalian Expression
VEGFR2 KDR Homo sapiens > 10.0 Sunitinib 0.23 Inhibitor Wild Type; Partial Length (Start/Stop: R787/P1253); Mammalian Expression
AChE ACHE Homo sapiens > 10.0 Physostigmine 50.00 Inhibitor
COX1 COX1 Homo sapiens > 10.0 Indomethacin 57.00 Inhibitor
COX2 COX2 Homo sapiens > 10.0 NS-398 38.00 Inhibitor
MAOA MAOA Homo sapiens > 10.0 Clorgyline 1.70 Inhibitor
PDE3A PDE3A Homo sapiens 7.9 Cilostamide 30.00 Inhibitor
PDE4D2 PDE4D Homo sapiens > 10.0 Cilomilast 12.00 Inhibitor
DAT SLC6A3 Homo sapiens > 10.0 GBR 12909 3.40 Blocker
NET SLC6A2 Homo sapiens > 10.0 Desipramine 9.00 Blocker
SERT SLC6A4 Homo sapiens > 10.0 Clomipramine 4.00 Blocker
 

TP-050

The assay was done at 10 µM compound.

Conclusion: Clean.

Target protein HGNC name Species Value [µM] Reference compound Reference compound value [nM] Mode of action Assay
ADORA2A ADORA2A Homo sapiens EC50 > 10.0 NECA EC50 = 8.20 agonist Calcium Flux
ADORA2A ADORA2A Homo sapiens IC50 > 10.0 SCH 442416 IC50 = 47.00 antagonist Calcium Flux
ADRA1A ADRA1A Homo sapiens EC50 > 10.0 A-61603 EC50 = 0.06 agonist Calcium Flux
ADRA1A ADRA1A Homo sapiens IC50 > 10.0 Tamsulosin IC50 = 1.00 antagonist Calcium Flux
ADRA2A ADRA2A Homo sapiens EC50 > 10.0 UK 14,304 EC50 = 0.07 agonist cAMP
ADRA2A ADRA2A Homo sapiens IC50 > 10.0 Yohimbine IC50 = 21.00 antagonist cAMP
ADRB1 ADRB1 Homo sapiens EC50 > 10.0 Isoproterenol EC50 = 1.20 agonist cAMP
ADRB1 ADRB1 Homo sapiens IC50 > 10.0 Betaxolol IC50 = 4.40 antagonist cAMP
ADRB2 ADRB2 Homo sapiens EC50 > 10.0 Isoproterenol EC50 = 1.30 agonist cAMP
ADRB2 ADRB2 Homo sapiens IC50 > 10.0 ICI 118,551 IC50 = 0.75 antagonist cAMP
AVPR1A AVPR1A Homo sapiens EC50 > 10.0 Vasopressin EC50 = 0.21 agonist Calcium Flux
AVPR1A AVPR1A Homo sapiens IC50 > 10.0 SR 49059 IC50 = 0.91 antagonist Calcium Flux
CCKAR CCKAR Homo sapiens EC50 > 10.0 CCK-8 EC50 = 0.02 agonist Calcium Flux
CCKAR CCKAR Homo sapiens IC50 > 10.0 SR 27897 IC50 = 27.00 antagonist Calcium Flux
CHRM1 CHRM1 Homo sapiens EC50 > 10.0 Acetylcholine EC50 = 15.00 agonist Calcium Flux
CHRM1 CHRM1 Homo sapiens IC50 > 10.0 Atropine IC50 = 4.70 antagonist Calcium Flux
CHRM2 CHRM2 Homo sapiens EC50 > 10.0 Acetylcholine EC50 = 23.00 agonist cAMP
CHRM2 CHRM2 Homo sapiens IC50 > 10.0 Atropine IC50 = 2.80 antagonist cAMP
CHRM3 CHRM3 Homo sapiens EC50 > 10.0 Acetylcholine EC50 = 21.00 agonist Calcium Flux
CHRM3 CHRM3 Homo sapiens IC50 > 10.0 Atropine IC50 = 3.10 antagonist Calcium Flux
CNR1 CNR1 Homo sapiens EC50 > 10.0 CP55940 EC50 = 0.03 agonist cAMP
CNR1 CNR1 Homo sapiens IC50 > 10.0 AM251 IC50 = 3.50 antagonist cAMP
CNR2 CNR2 Homo sapiens EC50 > 10.0 CP55940 EC50 = 0.17 agonist cAMP
CNR2 CNR2 Homo sapiens IC50 > 10.0 SR 144528 IC50 = 26.00 antagonist cAMP
DRD1 DRD1 Homo sapiens EC50 > 10.0 Dopamine EC50 = 130.00 agonist cAMP
DRD1 DRD1 Homo sapiens IC50 > 10.0 SCH 39166 IC50 = 3.10 antagonist cAMP
DRD2S DRD2 Homo sapiens EC50 > 10.0 Dopamine EC50 = 1.00 agonist cAMP
DRD2S DRD2 Homo sapiens IC50 > 10.0 Risperidone IC50 = 2.40 antagonist cAMP
EDNRA EDNRA Homo sapiens EC50 > 10.0 Endothelin 1 EC50 = 1.90 agonist Calcium Flux
EDNRA EDNRA Homo sapiens IC50 > 10.0 BMS 182874 IC50 = 1100.00 antagonist Calcium Flux
HRH1 HRH1 Homo sapiens EC50 > 10.0 Histamine EC50 = 9.20 agonist Calcium Flux
HRH1 HRH1 Homo sapiens IC50 > 10.0 Mepyramine IC50 = 14.00 antagonist Calcium Flux
HRH2 HRH2 Homo sapiens EC50 > 10.0 Histamine EC50 = 450.00 agonist cAMP
HRH2 HRH2 Homo sapiens IC50 > 10.0 Tiotidine IC50 = 41.00 antagonist cAMP
HTR1A HTR1A Homo sapiens EC50 > 10.0 Serotonin EC50 = 2.10 agonist cAMP
HTR1A HTR1A Homo sapiens IC50 > 10.0 Spiperone IC50 = 110.00 antagonist cAMP
HTR1B HTR1B Homo sapiens EC50 > 10.0 Serotonin EC50 = 0.09 agonist cAMP
HTR1B HTR1B Homo sapiens IC50 > 10.0 SB 224289 IC50 = 29.00 antagonist cAMP
HTR2A HTR2A Homo sapiens EC50 > 10.0 Serotonin EC50 = 3.40 agonist Calcium Flux
HTR2A HTR2A Homo sapiens IC50 > 10.0 Altanserin IC50 = 10.00 antagonist Calcium Flux
HTR2B HTR2B Homo sapiens EC50 > 10.0 Serotonin EC50 = 1.70 agonist Calcium Flux
HTR2B HTR2B Homo sapiens IC50 > 10.0 LY 272015 IC50 = 0.80 antagonist Calcium Flux
OPRD1 OPRD1 Homo sapiens EC50 > 10.0 DADLE EC50 = 0.04 agonist cAMP
OPRD1 OPRD1 Homo sapiens IC50 > 10.0 Naltriben IC50 = 0.60 antagonist cAMP
OPRK1 OPRK1 Homo sapiens EC50 > 10.0 Dynorphin A EC50 = 18.00 agonist cAMP
OPRK1 OPRK1 Homo sapiens IC50 > 10.0 nor-binaltorphimine IC50 = 5.70 antagonist cAMP
OPRM1 OPRM1 Homo sapiens EC50 > 10.0 DAMGO EC50 = 1.20 agonist cAMP
OPRM1 OPRM1 Homo sapiens IC50 > 10.0 Naloxone IC50 = 3.10 antagonist cAMP
AR AR Homo sapiens EC50 > 10.0 6a-Fluorotestosterone EC50 = 2.40 agonist NHR Nuclear Translocation
AR AR Homo sapiens IC50 > 10.0 Geldanamycin IC50 = 40.00 antagonist NHR Nuclear Translocation
GR NR3C1 Homo sapiens EC50 > 10.0 Dexamethasone EC50 = 68.00 agonist NHR Protein Interaction
GR NR3C1 Homo sapiens IC50 > 10.0 Mifepristone IC50 = 82.00 antagonist NHR Protein Interaction