Selectivity data for probe BAY-439 and control BAY-163
Coming soon
BAY-439
Results are significant for > 50 % inhibition. Where presented, IC50 values were determined by a non-linear, least squares regression analysis using MathIQTM (ID Business Solutions Ltd., UK).
Conclusion: Clean panel.
| Target protein | HGNC name | Species | Cmp. conc. | % Inhibition | Reference compound name | Reference compound IC50 [nM] | Assay ID |
|---|---|---|---|---|---|---|---|
| Aldose Reductase | AKR1B1 | Rattus sp. | 10 µM | -13.0 | Quercitrin | 560.00 | 107000 |
| ATPase, Na+/K+, Heart | Sus scrofa | 10 µM | -7.0 | Ouabain | 2000.00 | 107710 | |
| Carbonic Anhydrase II | CA2 | Homo sapiens | 10 µM | -4.0 | Acetazolamide | 31.00 | 112020 |
| Cholinesterase, Acetyl, ACES | ACHE | Homo sapiens | 10 µM | 19.0 | Physostigmine | 129.00 | 104010 |
| Cyclooxygenase COX-1 | PTGS1 | Homo sapiens | 10 µM | 11.0 | Indomethacin | 44.00 | 116020 |
| Cyclooxygenase COX-2 | PTGS2 | Homo sapiens | 10 µM | -15.0 | Rofecoxib | 170.00 | 118010 |
| HMG-CoA Reductase | HMGCR | Homo sapiens | 10 µM | -26.0 | Lovastatin | 74.00 | 124010 |
| Leukotriene LTC4 Synthase | LTC4S | Cavia porcellus | 10 µM | 11.0 | Sulfasalazine | 87000.00 | 132000 |
| Lipoxygenase 15-LO | ALOX15 | Homo sapiens | 10 µM | -3.0 | 199017 | ||
| Monoamine Oxidase MAO-A | MAOA | Homo sapiens | 10 µM | 17.0 | Clorgyline | 0.55 | 140010 |
| Monoamine Oxidase MAO-B | MAOB | Homo sapiens | 10 µM | 39.0 | R(-)-Deprenyl | 5.30 | 140120 |
| Nitric Oxide Synthase, Neuronal (nNOS) | NOS1 | Rattus sp. | 10 µM | 1.0 | S-methylisothiourea | 142000 | |
| Nitric Oxide Synthase, Inducible (iNOS) | NOS2 | Mus musculus | 10 µM | -7.0 | AMT | 6.50 | 199010 |
| Peptidase, Angiotensin Converting Enzyme | ACE | Oryctolagus cuniculus | 10 µM | -1.0 | Captopril | 10.00 | 107300 |
| Phosphodiesterase PDE3 | Homo sapiens | 10 µM | -13.0 | Cilostamide | 50.00 | 152000 | |
| Phosphodiesterase PDE4 | Homo sapiens | 10 µM | -12.0 | Ro 20-1724 | 1100.00 | 154000 | |
| Phosphodiesterase PDE5 | PDE5A | Homo sapiens | 10 µM | 0.0 | Zaprinast | 156000 | |
| Thromboxane Synthase | TBXAS1 | Homo sapiens | 10 µM | 22.0 | 1-(7-Carboxyheptyl)-Imidazole | 10.00 | 194020 |
BAY-163
Conclusion: Clean panel.
| Target protein | HGNC name | Species | Cmp. conc. | % Inhibition | Reference compound name | Reference compound IC50 [nM] | Assay ID |
|---|---|---|---|---|---|---|---|
| Aldose Reductase | AKR1B1 | Homo sapiens | 10 µM | 24.0 | Quercitrin | 3600.0 | 107010 |
| ATPase, Na+/K+, Heart | Sus scrofa | 10 µM | -3.0 | Ouabain | 2000.0 | 107710 | |
| Carbonic Anhydrase II | CA2 | Homo sapiens | 10 µM | -5.0 | Acetazolamide | 31.0 | 112020 |
| Cholinesterase, Acetyl, ACES | ACHE | Homo sapiens | 10 µM | 9.0 | Physostigmine | 120.0 | 104010 |
| Cyclooxygenase COX-1 | PTGS1 | Homo sapiens | 10 µM | -13.0 | Indomethacin | 11.0 | 116030 |
| Cyclooxygenase COX-2 | PTGS2 | Homo sapiens | 10 µM | -3.0 | Rofecoxib | 420.0 | 118030 |
| HMG-CoA Reductase | HMGCR | Homo sapiens | 10 µM | -9.0 | Lovastatin | 820.0 | 124020 |
| Leukotriene LTC4 Synthase | LTC4S | Cavia porcellus | 10 µM | 4.0 | Sulfasalazine | 87000.0 | 132000 |
| Lipoxygenase 15-LOX-2 | ALOX15B | Homo sapiens | 10 µM | 11.0 | 2-TEDC | 190.0 | 199020 |
| Monoamine Oxidase MAO-A | MAOA | Homo sapiens | 10 µM | 32.0 | Clorgyline | 0.6 | 140010 |
| Monoamine Oxidase MAO-B | MAOB | Homo sapiens | 10 µM | -14.0 | R(-)-Deprenyl | 5.3 | 140120 |
| Nitric Oxide Synthase, Neuronal (nNOS) | NOS1 | Rattus sp. | 10 µM | 11.0 | S-methylisothiourea | 142000 | |
| Nitric Oxide Synthase, Inducible (iNOS) | NOS2 | Mus musculus | 10 µM | 2.0 | AMT | 6.5 | 199010 |
| ACE Angiotensin-Converting Metallo Peptidase | ACE | Homo sapiens | 10 µM | -9.0 | Captopril | 5.4 | 107310 |
| PDE3A Phosphodiesterase | PDE3A | Homo sapiens | 10 µM | -1.0 | Cilostamide | 850.0 | 152300 |
| Phosphodiesterase PDE4D2 | PDE4D | Homo sapiens | 10 µM | 23.0 | Rolipram | 520.0 | 154420 |
| PDE5A Phosphodiesterase | PDE5A | Homo sapiens | 10 µM | 4.0 | Zaprinast | 230.0 | 156020 |
| Thromboxane Synthase | TBXAS1 | Homo sapiens | 10 µM | 10.0 | 1-(7-Carboxyheptyl)-Imidazole | 10.0 | 194020 |
BAY-439
Results are significant for > 50 % inhibition.
Conclusion: Closest off-targets are PGR (IC50 = 1.19 µM), ADRA2C (IC50 = 3.07 µM), SLC6A3 (IC50 = 3.55 µM) and SLC6A2 (IC50 = 4.71 µM)
| Target protein | HGNC name | Species | Cmp. conc. | % Inhibition | IC50 [µM] | Reference compound name | Reference compound IC50 [nM] | Assay ID |
|---|---|---|---|---|---|---|---|---|
| Adenosine A1 | ADORA1 | Homo sapiens | 10 µM | 18.0 | R(-)-PIA | 830.00 | 200510 | |
| Adenosine A2A | ADORA2A | Homo sapiens | 10 µM | CGS-21680 | 130.00 | 200610 | ||
| Adenosine A3 | ADORA3 | Homo sapiens | 10 µM | 49.0 | IB-MECA | 0.78 | 200720 | |
| Adrenergic alpha1A | ADRA1A | Rattus sp. | 10 µM | 6.0 | Prazosin | 0.69 | 203100 | |
| Adrenergic alpha2A | ADRA2A | Homo sapiens | 10 µM | 37.0 | Yohimbine | 1.80 | 203630 | |
| Adrenergic alpha2B | ADRA2B | Homo sapiens | 10 µM | 6.0 | Yohimbine | 14.00 | 203710 | |
| Adrenergic alpha2C | ADRA2C | Homo sapiens | 3 µM | 52.0 | 3.07 | Yohimbine | 2.00 | 203810 |
| Adrenergic beta1 | ADRB1 | Homo sapiens | 10 µM | 9.0 | S(-)-Propranolol | 2.50 | 204010 | |
| Adrenergic beta2 | ADRB2 | Homo sapiens | 10 µM | 13.0 | S(-)-Propranolol | 0.78 | 204110 | |
| Adrenergic beta3 | ADRB3 | Homo sapiens | 10 µM | 7.0 | Alprenolol | 180.00 | 204200 | |
| Androgen (Testosterone) AR | AR | Homo sapiens | 10 µM | 21.0 | Testosterone | 2.10 | 206000 | |
| Angiotensin AT1 | AGTR1 | Homo sapiens | 10 µM | 9.0 | Saralasin | 0.92 | 210030 | |
| Angiotensin AT2 | AGTR2 | Homo sapiens | 10 µM | 9.0 | Saralasin | 0.35 | 210120 | |
| Bradykinin B1 | BDKRB1 | Homo sapiens | 10 µM | 11.0 | (Des-Arg10)-Kallidin | 0.87 | 212510 | |
| Bradykinin B2 | BDKRB2 | Homo sapiens | 10 µM | 2.0 | Bradykinin | 1.80 | 212620 | |
| Cannabinoid CB1 | CNR1 | Homo sapiens | 10 µM | 17.0 | R(+)-WIN-55,212-2 | 200.00 | 217030 | |
| Cannabinoid CB2 | CNR2 | Homo sapiens | 10 µM | 3.0 | R(+)-WIN-55,212-2 | 5.80 | 217100 | |
| Dopamine D1 | DRD1 | Homo sapiens | 10 µM | 2.0 | R(+)-SCH-23390 | 1.40 | 219500 | |
| Dopamine D2L | DRD2 | Homo sapiens | 10 µM | 1.0 | Spiperone | 219600 | ||
| Dopamine D2S | DRD2 | Homo sapiens | 10 µM | -14.0 | Spiperone | 0.25 | 219700 | |
| Dopamine D3 | DRD3 | Homo sapiens | 10 µM | 13.0 | Spiperone | 0.36 | 219800 | |
| Endothelin ETA | EDNRA | Homo sapiens | 10 µM | 2.0 | Endothelin-1 | 0.23 | 224010 | |
| Endothelin ETB | EDNRB | Homo sapiens | 10 µM | -2.0 | Endothelin-1 | 0.13 | 224110 | |
| Estrogen ERalpha | ESR1 | Homo sapiens | 10 µM | 7.0 | Diethylstilbestrol | 0.77 | 226010 | |
| GABAA, Chloride Channel, TBOB | Rattus sp. | 10 µM | 22.0 | Picrotoxin | 270.00 | 226810 | ||
| GABAA, Flunitrazepam, Central | Rattus sp. | 10 µM | -6.0 | Hydrogen diazepam chloride | 16.00 | 226600 | ||
| GABAB, Non-Selective | GABBR1 | Rattus sp. | 10 µM | -4.0 | CGP-546Z6 | 1.80 | 228510 | |
| Glucocorticoid | NR3C1 | Homo sapiens | 10 µM | 11.0 | Dexamethasone | 3.80 | 232030 | |
| Glutamate, AMPA | Rattus sp. | 10 µM | 9.0 | L-Glutamic acid | 320.00 | 232600 | ||
| Glutamate, Kainate | Rattus sp. | 10 µM | 2.0 | L-Glutamic acid hydrochloride | 160.00 | 232710 | ||
| Glutamate, NMDA, Agonism | Rattus sp. | 10 µM | -9.0 | L-Glutamic acid | 410.00 | 232810 | ||
| Glutamate, NMDA, Glycine | Rattus sp. | 10 µM | 7.0 | MDL 105,519 | 22.00 | 232910 | ||
| Growth Hormone Secretagogue (GHS, Ghrelin) | GHSR | Homo sapiens | 10 µM | 7.0 | Ghrelin (human) | 0.13 | 239300 | |
| Histamine H1 | HRH1 | Homo sapiens | 10 µM | 14.0 | Pyrilamine | 3.30 | 239610 | |
| Histamine H2 | HRH2 | Homo sapiens | 10 µM | 13.0 | Tiotidine | 22.00 | 239710 | |
| Histamine H3 | HRH3 | Homo sapiens | 10 µM | 17.0 | R(-)-alpha-Methylhistamine (RAMH) | 2.30 | 239820 | |
| Insulin | INSR | Rattus sp. | 10 µM | -4.0 | Insulin | 6.10 | 243000 | |
| Motilin | MLNR | Homo sapiens | 10 µM | 6.0 | Motilin porcine | 0.54 | 252200 | |
| Muscarinic M1 | CHRM1 | Homo sapiens | 10 µM | -2.0 | 4-DAMP | 4.50 | 252610 | |
| Muscarinic M2 | CHRM2 | Homo sapiens | 10 µM | 2.0 | 4-DAMP | 55.00 | 252710 | |
| Muscarinic M3 | CHRM3 | Homo sapiens | 10 µM | -4.0 | 4-DAMP | 5.10 | 252810 | |
| Muscarinic M4 | CHRM4 | Homo sapiens | 10 µM | 4.0 | 4-DAMP | 15.00 | 252910 | |
| Nicotinic Acetylcholine | Homo sapiens | 10 µM | -14.0 | Epibatidine | 0.08 | 258590 | ||
| Opiate delta1 (OP1, DOP) | OPRD1 | Homo sapiens | 10 µM | 16.0 | Naltrindole | 0.91 | 260130 | |
| Opiate kappa (OP2, KOP) | OPRK1 | Homo sapiens | 10 µM | 1.0 | U-69593 | 16.00 | 260210 | |
| Opiate µ (OP3, MOP) | OPRM1 | Homo sapiens | 10 µM | 14.0 | DAMGO | 20.00 | 260410 | |
| Progesterone PR-B | PGR | Homo sapiens | 3 µM | 75.0 | 1.19 | R-5020 | 0.49 | 299005 |
| Purinergic P2X | Oryctolagus cuniculus | 10 µM | 7.0 | alpha,beta-Methylene ATP | 82.00 | 268700 | ||
| Purinergic P2Y | Rattus sp. | 10 µM | -4.0 | ATP | 18.00 | 268810 | ||
| Serotonin (5-Hydroxytryptamine) 5-HT1A | HTR1A | Homo sapiens | 10 µM | 5.0 | Metergoline | 4.10 | 271110 | |
| Serotonin (5-Hydroxytryptamine) 5-HT2A | HTR2A | Homo sapiens | 10 µM | 1.0 | Ketanserin | 0.65 | 271650 | |
| Serotonin (5-Hydroxytryptamine) 5-HT2B | HTR2B | Homo sapiens | 10 µM | 18.0 | Ketanserin | 290.00 | 271700 | |
| Serotonin (5-Hydroxytryptamine) 5-HT2C | HTR2C | Homo sapiens | 10 µM | 30.0 | SBZ4Z084 | 1.00 | 271800 | |
| Transporter, Adenosine | Cavia porcellus | 10 µM | 55.0 | Nitrobenzylthioinosine | 0.85 | 202000 | ||
| Transporter, Dopamine (DAT) | SLC6A3 | Homo sapiens | 3 µM | 53.0 | 3.55 | GBR-12909 | 1.70 | 220320 |
| Transporter, GABA | Rattus sp. | 10 µM | -2.0 | NO-711 | 200.00 | 226400 | ||
| Transporter, Norepinephrine (NET) | SLC6A2 | Homo sapiens | 10 µM | 73.0 | 4.17 | Desipramine | 0.93 | 204410 |
| Transporter, Serotonin (5- Hydroxytryptamine) (SERT) | SLC6A4 | Homo sapiens | 10 µM | 2.0 | Fluoxetine | 8.60 | 274030 | |
| Vasopressin V1A | AVPR1A | Homo sapiens | 10 µM | -5.0 | (Arg8)-Vasopressin | 0.33 | 287530 |
BAY-163
Conclusion: Closest off-targets are Adenosine transporter (88 % inhibition), SLC6A3 (52 % inhibition) and ADRA2C (54 % inhibition).
| Target protein | HGNC name | Species | Cmp. conc. | % Inhibition | Reference compound name | Reference compound IC50 [nM] | Assay ID |
|---|---|---|---|---|---|---|---|
| Adenosine A1 | ADORA1 | Homo sapiens | 10 µM | 14.0 | R(-)-PIA | 830.0 | 200510 |
| Adenosine A2A | ADORA2A | Homo sapiens | 10 µM | 1.0 | CGS-21680 | 130.0 | 200610 |
| Adenosine A3 | ADORA3 | Homo sapiens | 10 µM | 27.0 | IB-MECA | 0.8 | 200720 |
| Adrenergic alpha1A | ADRA1A | Homo sapiens | 10 µM | 4.0 | Prazosin hydrochloride | 0.9 | 203110 |
| Adrenergic alpha2A | ADRA2A | Homo sapiens | 10 µM | 14.0 | Yohimbine | 1.8 | 203630 |
| Adrenergic alpha2B | ADRA2B | Homo sapiens | 10 µM | 1.0 | Yohimbine | 14.0 | 203710 |
| Adrenergic alpha2C | ADRA2C | Homo sapiens | 10 µM | 54.0 | Yohimbine | 2.0 | 203810 |
| Adrenergic beta1 | ADRB1 | Homo sapiens | 10 µM | 34.0 | S(-)-Propranolol | 2.5 | 204010 |
| Adrenergic beta2 | ADRB2 | Homo sapiens | 10 µM | 8.0 | S(-)-Propranolol | 0.8 | 204110 |
| Adrenergic beta3 | ADRB3 | Homo sapiens | 10 µM | 12.0 | Alprenolol | 180.0 | 204200 |
| Androgen (Testosterone) AR | AR | Homo sapiens | 10 µM | 17.0 | Testosterone | 2.1 | 206000 |
| Angiotensin AT1 | AGTR1 | Homo sapiens | 10 µM | 3.0 | Saralasin | 0.9 | 210030 |
| Angiotensin AT2 | AGTR2 | Homo sapiens | 10 µM | 7.0 | Saralasin | 0.4 | 210120 |
| Bradykinin B1 | BDKRB1 | Homo sapiens | 10 µM | -10.0 | (Des-Arg10)-Kallidin | 0.9 | 212510 |
| Bradykinin B2 | BDKRB2 | Homo sapiens | 10 µM | 9.0 | Bradykinin | 1.8 | 212620 |
| Cannabinoid CB1 | CNR1 | Homo sapiens | 10 µM | 8.0 | SR141716A | 4.0 | 217050 |
| Cannabinoid CB2 | CNR2 | Homo sapiens | 10 µM | 0.0 | R(+)-WIN-55,212-2 | 5.8 | 217100 |
| Dopamine D1 | DRD1 | Homo sapiens | 10 µM | 3.0 | R(+)-SCH-23390 | 1.4 | 219500 |
| Dopamine D2L | DRD2 | Homo sapiens | 10 µM | 9.0 | Spiperone | 219600 | |
| Dopamine D2S | DRD2 | Homo sapiens | 10 µM | 6.0 | Spiperone | 0.3 | 219700 |
| Dopamine D3 | DRD3 | Homo sapiens | 10 µM | 30.0 | Spiperone | 0.4 | 219800 |
| Endothelin ETA | EDNRA | Homo sapiens | 10 µM | 2.0 | Endothelin-1 | 0.2 | 224010 |
| Endothelin ETB | EDNRB | Homo sapiens | 10 µM | -4.0 | Endothelin-1 | 0.1 | 224110 |
| Estrogen ERalpha | ESR1 | Homo sapiens | 10 µM | 4.0 | Diethylstilbestrol | 0.8 | 226010 |
| GABAA, Chloride Channel, TBOB | Rattus sp. | 10 µM | 5.0 | Picrotoxin | 270.0 | 226810 | |
| GABAA, Flunitrazepam, Central | Rattus sp. | 10 µM | -13.0 | Hydrogen diazepam chloride | 16.0 | 226600 | |
| GABAB1A | GABBR1 | Homo sapiens | 10 µM | -2.0 | Cgp-54626 | 0.0 | 228610 |
| GABAB1B | GABBR2 | Homo sapiens | 10 µM | -2.0 | Cgp-54626 | 0.0 | 228710 |
| Glucocorticoid | NR3C1 | Homo sapiens | 10 µM | 18.0 | Dexamethasone | 3.8 | 232030 |
| Glutamate, AMPA | Rattus sp. | 10 µM | 0.0 | L-Glutamic acid | 320.0 | 232600 | |
| Glutamate, Kainate | Rattus sp. | 10 µM | -15.0 | L-Glutamic acid hydrochloride | 160.0 | 232710 | |
| Glutamate, NMDA, Agonism | Rattus sp. | 10 µM | 9.0 | L-Glutamic acid | 410.0 | 232810 | |
| Glutamate, NMDA, Glycine | Rattus sp. | 10 µM | 9.0 | MDL 105,519 | 22.0 | 232910 | |
| Growth Hormone Secretagogue (GHS, Ghrelin) | GHSR | Homo sapiens | 10 µM | 16.0 | Ghrelin (human) | 0.1 | 239300 |
| Histamine H1 | HRH1 | Homo sapiens | 10 µM | 35.0 | Pyrilamine | 3.3 | 239610 |
| Histamine H2 | HRH2 | Homo sapiens | 10 µM | 21.0 | Tiotidine | 22.0 | 239710 |
| Histamine H3 | HRH3 | Homo sapiens | 10 µM | 15.0 | R(-)-alpha-Methylhistamine (RAMH) | 2.3 | 239820 |
| Insulin | INSR | Rattus sp. | 10 µM | -5.0 | Insulin | 6.1 | 243000 |
| Motilin | MLNR | Homo sapiens | 10 µM | 11.0 | Motilin porcine | 0.5 | 252200 |
| Muscarinic M1 | CHRM1 | Homo sapiens | 10 µM | 7.0 | 4-DAMP | 4.5 | 252610 |
| Muscarinic M2 | CHRM2 | Homo sapiens | 10 µM | 3.0 | 4-DAMP | 55.0 | 252710 |
| Muscarinic M3 | CHRM3 | Homo sapiens | 10 µM | 9.0 | 4-DAMP | 5.1 | 252810 |
| Muscarinic M4 | CHRM4 | Homo sapiens | 10 µM | 1.0 | 4-DAMP | 15.0 | 252910 |
| Nicotinic Acetylcholine alpha3beta4 |
CHRNA3 CHRNB4 |
Homo sapiens | 10 µM | 9.0 | Epibatidine | 0.1 | 258730 |
| Opiate delta1 (OP1, DOP) | OPRD1 | Homo sapiens | 10 µM | 3.0 | Naltrindole | 0.9 | 260130 |
| Opiate kappa (OP2, KOP) | OPRK1 | Homo sapiens | 10 µM | 11.0 | U-69593 | 16.0 | 260210 |
| Opiate µ (OP3, MOP) | OPRM1 | Homo sapiens | 10 µM | 15.0 | DAMGO | 20.0 | 260410 |
| Progesterone PR-B | PGR | Homo sapiens | 10 µM | 46.0 | R-5020 | 0.5 | 299005 |
| Purinergic P2X | Rattus sp. | 10 µM | -6.0 | alpha,beta-Methylene ATP | 11.0 | 299036 | |
| Purinergic P2Y | Rattus sp. | 10 µM | 8.0 | 2-Methylthio-ATP | 85.0 | 268820 | |
| Serotonin (5-Hydroxytryptamine) 5-HT1A | HTR1A | Homo sapiens | 10 µM | 1.0 | Metergoline | 4.1 | 271110 |
| Serotonin (5-Hydroxytryptamine) 5-HT2A | HTR2A | Homo sapiens | 10 µM | -8.0 | Ketanserin | 0.7 | 271650 |
| Serotonin (5-Hydroxytryptamine) 5-HT2B | HTR2B | Homo sapiens | 10 µM | 11.0 | Ketanserin | 290.0 | 271700 |
| Serotonin (5-Hydroxytryptamine) 5-HT2C | HTR2C | Homo sapiens | 10 µM | 3.0 | SBZ4Z084 | 1.0 | 271800 |
| Transporter, Adenosine | Homo sapiens | 10 µM | 88.0 | NBTI | 0.6 | 202020 | |
| Transporter, Dopamine (DAT) | SLC6A3 | Homo sapiens | 10 µM | 52.0 | GBR-12909 | 1.7 | 220320 |
| Transporter, GABA | Rattus sp. | 10 µM | 3.0 | NO-711 | 200.0 | 226400 | |
| Transporter, Norepinephrine (NET) | SLC6A2 | Homo sapiens | 10 µM | 39.0 | Desipramine | 0.9 | 204410 |
| Transporter, Serotonin (5- Hydroxytryptamine) (SERT) | SLC6A4 | Homo sapiens | 10 µM | 7.0 | Fluoxetine | 8.6 | 274030 |
| Vasopressin V1A | AVPR1A | Homo sapiens | 10 µM | -8.0 | (Arg8)-Vasopressin | 0.3 | 287530 |