Found 65 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204287
(CHEMBL3964482)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)21(33)6-15-8-25-22(26-9-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204272
(CHEMBL3964139)Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204275
(CHEMBL3974889)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)22(33)6-15-8-26-21(9-25-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204274
(CHEMBL3911740)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204273
(CHEMBL3920038)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)21(33)6-15-8-25-22(26-9-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204277
(CHEMBL3924012)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM196074
(US9206199, 179)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r| Show InChI InChI=1S/C21H21N9O3/c31-21(7-14-1-4-20(22-9-14)30-13-23-26-27-30)29-6-5-28-11-19(32-12-16(28)10-29)15-2-3-17-18(8-15)25-33-24-17/h1-4,8-9,13,16,19H,5-7,10-12H2/t16-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204285
(CHEMBL3913955)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM195909
(US9206199, 1)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C24H25N7O4/c32-23(9-16-1-4-22(25-11-16)31-15-26-27-28-31)30-7-6-29-13-21(35-14-19(29)12-30)18-2-3-20-17(10-18)5-8-34-24(20)33/h1-4,10-11,15,19,21H,5-9,12-14H2/t19-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204279
(CHEMBL3943156)Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM195919
(US9206199, 22)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204282
(CHEMBL3892013)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM196072
(US9206199, 177)Show SMILES Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23N9O3/c1-14-17(3-4-18-22(14)26-34-25-18)19-11-29-6-7-30(10-16(29)12-33-19)21(32)8-15-2-5-20(23-9-15)31-13-24-27-28-31/h2-5,9,13,16,19H,6-8,10-12H2,1H3/t16-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204280
(CHEMBL3987135 | US9573961, Example 15)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM196071
(US9206199, 176)Show SMILES Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23N9O3/c1-14-17(3-4-18-22(14)26-34-25-18)19-11-29-6-7-30(10-16(29)12-33-19)21(32)8-15-2-5-20(23-9-15)31-13-24-27-28-31/h2-5,9,13,16,19H,6-8,10-12H2,1H3/t16-,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204276
(CHEMBL3900985)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(3-4-19(23)18(14)9-24)20-11-30-6-7-31(10-16(30)12-34-20)22(33)8-15-2-5-21(27-26-15)32-13-25-28-29-32/h2-5,13,16,20H,6-8,10-12H2,1H3/t16-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM195920
(US9206199, 23)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM195918
(US9206199, 21)Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM196061
(US9206199, 166)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O3S/c1-15-18(3-4-19-20(15)12-34-24(19)33)21-11-29-6-7-30(10-17(29)13-35-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM196075
(US9206199, 180)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r| Show InChI InChI=1S/C21H21N9O3/c31-21(7-14-1-4-20(22-9-14)30-13-23-26-27-30)29-6-5-28-11-19(32-12-16(28)10-29)15-2-3-17-18(8-15)25-33-24-17/h1-4,8-9,13,16,19H,5-7,10-12H2/t16-,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM195921
(US9206199, 24)Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204284
(CHEMBL3928945)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)22(33)6-15-8-26-21(9-25-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204278
(CHEMBL3896006)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21+/m0/s1 | Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204283
(CHEMBL3898579)Show SMILES [H][C@@]12CN[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C |r| Show InChI InChI=1S/C24H26N8O3/c1-15-18(3-4-19-20(15)13-35-24(19)34)21-12-30-6-7-31(11-17(30)10-25-21)23(33)8-16-2-5-22(26-9-16)32-14-27-28-29-32/h2-5,9,14,17,21,25H,6-8,10-13H2,1H3/t17-,21+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM195950
(US9206199, 55)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C24H25N7O4/c32-23(9-16-1-4-22(25-11-16)31-15-26-27-28-31)30-7-6-29-13-21(35-14-19(29)12-30)18-2-3-20-17(10-18)5-8-34-24(20)33/h1-4,10-11,15,19,21H,5-9,12-14H2/t19-,21-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204286
(CHEMBL3940901)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C24H25N7O4/c32-23(9-16-1-4-22(25-11-16)31-15-26-27-28-31)30-7-6-29-13-21(35-14-19(29)12-30)18-2-3-20-17(10-18)5-8-34-24(20)33/h1-4,10-11,15,19,21H,5-9,12-14H2/t19-,21+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM196040
(US9206199, 145)Show SMILES O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C23H24N8O4/c32-21(7-15-9-24-23(25-10-15)31-14-26-27-28-31)30-5-4-29-12-20(35-13-18(29)11-30)17-1-2-19-16(8-17)3-6-34-22(19)33/h1-2,8-10,14,18,20H,3-7,11-13H2/t18-,20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Somatostatin receptor type 2 (unknown origin) by radioligand binding assay |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204287
(CHEMBL3964482)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)21(33)6-15-8-25-22(26-9-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM196061
(US9206199, 166)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O3S/c1-15-18(3-4-19-20(15)12-34-24(19)33)21-11-29-6-7-30(10-17(29)13-35-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204274
(CHEMBL3911740)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM196071
(US9206199, 176)Show SMILES Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23N9O3/c1-14-17(3-4-18-22(14)26-34-25-18)19-11-29-6-7-30(10-16(29)12-33-19)21(32)8-15-2-5-20(23-9-15)31-13-24-27-28-31/h2-5,9,13,16,19H,6-8,10-12H2,1H3/t16-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204279
(CHEMBL3943156)Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM196074
(US9206199, 179)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r| Show InChI InChI=1S/C21H21N9O3/c31-21(7-14-1-4-20(22-9-14)30-13-23-26-27-30)29-6-5-28-11-19(32-12-16(28)10-29)15-2-3-17-18(8-15)25-33-24-17/h1-4,8-9,13,16,19H,5-7,10-12H2/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM196072
(US9206199, 177)Show SMILES Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23N9O3/c1-14-17(3-4-18-22(14)26-34-25-18)19-11-29-6-7-30(10-16(29)12-33-19)21(32)8-15-2-5-20(23-9-15)31-13-24-27-28-31/h2-5,9,13,16,19H,6-8,10-12H2,1H3/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204275
(CHEMBL3974889)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)22(33)6-15-8-26-21(9-25-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204284
(CHEMBL3928945)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)22(33)6-15-8-26-21(9-25-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204277
(CHEMBL3924012)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204272
(CHEMBL3964139)Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204278
(CHEMBL3896006)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195919
(US9206199, 22)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204282
(CHEMBL3892013)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195919
(US9206199, 22)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204283
(CHEMBL3898579)Show SMILES [H][C@@]12CN[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C |r| Show InChI InChI=1S/C24H26N8O3/c1-15-18(3-4-19-20(15)13-35-24(19)34)21-12-30-6-7-31(11-17(30)10-25-21)23(33)8-16-2-5-22(26-9-16)32-14-27-28-29-32/h2-5,9,14,17,21,25H,6-8,10-13H2,1H3/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204273
(CHEMBL3920038)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)21(33)6-15-8-25-22(26-9-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195918
(US9206199, 21)Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Cav1.2 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204280
(CHEMBL3987135 | US9573961, Example 15)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204276
(CHEMBL3900985)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(3-4-19(23)18(14)9-24)20-11-30-6-7-31(10-16(30)12-34-20)22(33)8-15-2-5-21(27-26-15)32-13-25-28-29-32/h2-5,13,16,20H,6-8,10-12H2,1H3/t16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195950
(US9206199, 55)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C24H25N7O4/c32-23(9-16-1-4-22(25-11-16)31-15-26-27-28-31)30-7-6-29-13-21(35-14-19(29)12-30)18-2-3-20-17(10-18)5-8-34-24(20)33/h1-4,10-11,15,19,21H,5-9,12-14H2/t19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195921
(US9206199, 24)Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195918
(US9206199, 21)Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195920
(US9206199, 23)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195920
(US9206199, 23)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM195909
(US9206199, 1)Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C24H25N7O4/c32-23(9-16-1-4-22(25-11-16)31-15-26-27-28-31)30-7-6-29-13-21(35-14-19(29)12-30)18-2-3-20-17(10-18)5-8-34-24(20)33/h1-4,10-11,15,19,21H,5-9,12-14H2/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM196040
(US9206199, 145)Show SMILES O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C23H24N8O4/c32-21(7-15-9-24-23(25-10-15)31-14-26-27-28-31)30-5-4-29-12-20(35-13-18(29)11-30)17-1-2-19-16(8-17)3-6-34-22(19)33/h1-2,8-10,14,18,20H,3-7,11-13H2/t18-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Inward rectifier potassium channel 13
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Kir7.1 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
Inward rectifier potassium channel 2
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Kir2.1 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 10
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Kir4.1 (unknown origin) |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this
Ligand-Target Pair | |
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