Found 874 hits with Last Name = 'thomas-fowlkes' and Initial = 'b' 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391763
(CHEMBL2146867)Show SMILES CC1CN(CCc2ccc(cc2)[N+]([O-])=O)CCN1CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-17-16-22(12-10-18-2-6-20(7-3-18)24(26)27)14-15-23(17)13-11-19-4-8-21(9-5-19)25(28)29/h2-9,17H,10-16H2,1H3 | 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 | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
More data for this
Ligand-Target Pair | |
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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391764
(CHEMBL2146865)Show SMILES CC(CN1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-17(19-4-8-21(9-5-19)25(28)29)16-23-14-12-22(13-15-23)11-10-18-2-6-20(7-3-18)24(26)27/h2-9,17H,10-16H2,1H3 | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391760
(CHEMBL2146866)Show SMILES CC(Cc1ccc(cc1)[N+]([O-])=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C21H26N4O4/c1-17(16-19-4-8-21(9-5-19)25(28)29)23-14-12-22(13-15-23)11-10-18-2-6-20(7-3-18)24(26)27/h2-9,17H,10-16H2,1H3 | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249205
(CHEMBL4062753)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
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)) | BDBM50249244
(CHEMBL4103004)Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391770
(CHEMBL2146755 | US9073882, 1)Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
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)) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391777
(CHEMBL2146861)Show SMILES COc1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C21H27N3O3/c1-27-21-8-4-19(5-9-21)11-13-23-16-14-22(15-17-23)12-10-18-2-6-20(7-3-18)24(25)26/h2-9H,10-17H2,1H3 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391770
(CHEMBL2146755 | US9073882, 1)Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391770
(CHEMBL2146755 | US9073882, 1)Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249205
(CHEMBL4062753)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249227
(CHEMBL4095422)Show SMILES Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C22H26N4O4S/c1-13-15(3-4-16-17(13)12-30-19(16)28)18(27)11-25-8-5-22(6-9-25)7-10-26(20(22)29)21-23-14(2)24-31-21/h3-4,18,27H,5-12H2,1-2H3/t18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM155923
(US9018211, 2C)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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391789
(CHEMBL2146757)Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C21H24N4O2/c22-17-20-3-1-18(2-4-20)9-11-23-13-15-24(16-14-23)12-10-19-5-7-21(8-6-19)25(26)27/h1-8H,9-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells |
ACS Med Chem Lett 6: 747-52 (2015)
Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ |
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
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| 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)) | BDBM155923
(US9018211, 2C)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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391789
(CHEMBL2146757)Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C21H24N4O2/c22-17-20-3-1-18(2-4-20)9-11-23-13-15-24(16-14-23)12-10-19-5-7-21(8-6-19)25(26)27/h1-8H,9-16H2 | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
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
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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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50249299
(CHEMBL4093627)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cc(ns2)-c2ccccc2)CC1 |r| Show InChI InChI=1S/C28H29N3O4S/c1-18-20(7-8-21-22(18)17-35-26(21)33)24(32)16-30-12-9-28(10-13-30)11-14-31(27(28)34)25-15-23(29-36-25)19-5-3-2-4-6-19/h2-8,15,24,32H,9-14,16-17H2,1H3/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM155923
(US9018211, 2C)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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM155923
(US9018211, 2C)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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
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
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GoogleScholar
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| 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)) | 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
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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 |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235201
(CHEMBL4066423)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-7-4-25(5-8-28)6-9-29(16-25)19-10-18(11-26)12-27-13-19/h2-3,10,12-13,23,30H,4-9,14-16H2,1H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| 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 |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121345
(CHEMBL3622104 | US9751881, Example 1)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(30)13-28-8-6-25(7-9-28)10-23(31)29(15-25)22-5-2-17(11-26)12-27-22/h2-5,12,21,30H,6-10,13-15H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
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| 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 |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235202
(CHEMBL4079335)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-19(2-3-20-21(16)14-33-24(20)32)22(30)13-28-6-4-25(5-7-28)9-23(31)29(15-25)18-8-17(10-26)11-27-12-18/h2-3,8,11-12,22,30H,4-7,9,13-15H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
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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 |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
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
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| Article
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| 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)) | BDBM50249241
(CHEMBL4092262)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccncc2)CC1 |r| Show InChI InChI=1S/C24H27N3O4/c1-16-18(2-3-19-20(16)15-31-22(19)29)21(28)14-26-11-6-24(7-12-26)8-13-27(23(24)30)17-4-9-25-10-5-17/h2-5,9-10,21,28H,6-8,11-15H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
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UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM155922
(US9018211, 2B)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-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM155922
(US9018211, 2B)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-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249216
(CHEMBL4075906)Show SMILES Cc1cc(sn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C23H27N3O4S/c1-14-11-20(31-24-14)26-10-7-23(22(26)29)5-8-25(9-6-23)12-19(27)16-3-4-17-18(15(16)2)13-30-21(17)28/h3-4,11,19,27H,5-10,12-13H2,1-2H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391776
(CHEMBL2146868)Show InChI InChI=1S/C22H24N4/c23-17-21-5-1-19(2-6-21)9-11-25-13-15-26(16-14-25)12-10-20-3-7-22(18-24)8-4-20/h1-8H,9-16H2 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50116796
(CHEMBL3612814)Show SMILES Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C24H28N4O4/c1-15-18(4-5-19-20(15)14-32-24(19)31)22(29)12-27-7-9-28(10-8-27)13-23(30)21-6-3-17(11-25)16(2)26-21/h3-6,22-23,29-30H,7-10,12-14H2,1-2H3/t22-,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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay |
ACS Med Chem Lett 6: 747-52 (2015)
Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50116799
(CHEMBL3612928)Show SMILES [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22?/m0/s1/i2D3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay |
ACS Med Chem Lett 6: 747-52 (2015)
Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM155928
(US9018211, 52)Show SMILES COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK by thallium flux assay |
ACS Med Chem Lett 6: 747-52 (2015)
Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249244
(CHEMBL4103004)Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50533148
(CHEMBL4559965)Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1 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 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
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)) | BDBM50533148
(CHEMBL4559965)Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1 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 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay |
ACS Med Chem Lett 7: 697-701 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50116799
(CHEMBL3612928)Show SMILES [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22?/m0/s1/i2D3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 747-52 (2015)
Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50116799
(CHEMBL3612928)Show SMILES [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22?/m0/s1/i2D3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 747-52 (2015)
Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
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 |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G |
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 | |
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