Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50015082 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
(Rattus norvegicus (Rat)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat Kir1.1 expressed in HEK293 cells by electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM194951
(US9206198, 5)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C23H26N2O6/c1-14-16(2-3-17-18(14)13-31-21(17)28)19(26)11-24-7-4-23(5-8-24)6-9-25(22(23)29)15-10-20(27)30-12-15/h2-3,10,19,26H,4-9,11-13H2,1H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM194970
(US9206198, 25)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1 |r,c:26| Show InChI InChI=1S/C23H25ClN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM155921
(US9018211, 2A)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121344
(CHEMBL3622105 | US9751881, Example 3)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM426021
(US10513518, Example 11)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)CC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C24H28N2O5/c1-15-18(4-5-19-20(15)14-31-22(19)29)21(28)13-25-9-6-24(7-10-25)8-11-26(23(24)30)16-2-3-17(27)12-16/h4-5,12,21,28H,2-3,6-11,13-14H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM426029
(US10513518, Example 19)Show SMILES CC1=C(CCC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C25H30N2O5/c1-15-17(3-4-18-19(15)14-32-23(18)30)22(29)13-26-10-7-25(8-11-26)9-12-27(24(25)31)20-5-6-21(28)16(20)2/h3-4,22,29H,5-14H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249228
(CHEMBL4075319)Show SMILES COc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C22H26N4O5S/c1-13-14(3-4-15-16(13)12-31-18(15)28)17(27)11-25-8-5-22(6-9-25)7-10-26(19(22)29)21-23-20(30-2)24-32-21/h3-4,17,27H,5-12H2,1-2H3/t17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50582620
(CHEMBL5078395)Show SMILES CCC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:2| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM194973
(US9206198, 29)Show SMILES CC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=C(C)C(=O)OC1 |r,c:30| Show InChI InChI=1S/C25H30N2O6/c1-14-10-25(24(31)27(14)20-13-33-22(29)16(20)3)6-8-26(9-7-25)11-21(28)17-4-5-18-19(15(17)2)12-32-23(18)30/h4-5,14,21,28H,6-13H2,1-3H3/t14?,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50582619
(CHEMBL5084415)Show SMILES CC1OC(=O)C=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:5| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50582617
(CHEMBL5085209)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)C2=CC(=O)OC2)CC1 |r,t:25| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50582618
(CHEMBL5091929)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)C2=CC(=O)OC2)CC1 |r,t:26| | 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 |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50582621
(CHEMBL5077809)Show SMILES CC1OC(=O)C(C)=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:6| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50249228
(CHEMBL4075319)Show SMILES COc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C22H26N4O5S/c1-13-14(3-4-15-16(13)12-31-18(15)28)17(27)11-25-8-5-22(6-9-25)7-10-26(19(22)29)21-23-20(30-2)24-32-21/h3-4,17,27H,5-12H2,1-2H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM194973
(US9206198, 29)Show SMILES CC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=C(C)C(=O)OC1 |r,c:30| Show InChI InChI=1S/C25H30N2O6/c1-14-10-25(24(31)27(14)20-13-33-22(29)16(20)3)6-8-26(9-7-25)11-21(28)17-4-5-18-19(15(17)2)12-32-23(18)30/h4-5,14,21,28H,6-13H2,1-3H3/t14?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50582619
(CHEMBL5084415)Show SMILES CC1OC(=O)C=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:5| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50582621
(CHEMBL5077809)Show SMILES CC1OC(=O)C(C)=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:6| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM426029
(US10513518, Example 19)Show SMILES CC1=C(CCC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C25H30N2O5/c1-15-17(3-4-18-19(15)14-32-23(18)30)22(29)13-26-10-7-25(8-11-26)9-12-27(24(25)31)20-5-6-21(28)16(20)2/h3-4,22,29H,5-14H2,1-2H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM155921
(US9018211, 2A)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50582620
(CHEMBL5078395)Show SMILES CCC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Cav1.2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Nav1.5 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM194951
(US9206198, 5)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C23H26N2O6/c1-14-16(2-3-17-18(14)13-31-21(17)28)19(26)11-24-7-4-23(5-8-24)6-9-25(22(23)29)15-10-20(27)30-12-15/h2-3,10,19,26H,4-9,11-13H2,1H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM194970
(US9206198, 25)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1 |r,c:26| Show InChI InChI=1S/C23H25ClN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM426021
(US10513518, Example 11)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)CC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C24H28N2O5/c1-15-18(4-5-19-20(15)14-31-22(19)29)21(28)13-25-9-6-24(7-10-25)8-11-26(23(24)30)16-2-3-17(27)12-16/h4-5,12,21,28H,2-3,6-11,13-14H2,1H3/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50582617
(CHEMBL5085209)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)C2=CC(=O)OC2)CC1 |r,t:25| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50582618
(CHEMBL5091929)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)C2=CC(=O)OC2)CC1 |r,t:26| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50121344
(CHEMBL3622105 | US9751881, Example 3)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/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 | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
Inward rectifier potassium channel 13
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Kir7.1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 10
(Homo sapiens (Human)) | BDBM194954
(US9206198, 7)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Kir4.1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5 |
More data for this
Ligand-Target Pair | |
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