Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50009871 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)) | 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 | |
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
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
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)) | 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 | |
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)) | 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 | |
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
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)) | 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)) | 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)) | 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)) | BDBM155925
(US9018211, 12)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H30N2O5/c1-16-18(3-4-20-22(16)14-32-25(20)30)7-8-27-9-11-28(12-10-27)13-24(29)19-5-6-21-23(17(19)2)15-33-26(21)31/h3-6,24,29H,7-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | 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 86Rb+ efflux 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)) | BDBM155925
(US9018211, 12)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H30N2O5/c1-16-18(3-4-20-22(16)14-32-25(20)30)7-8-27-9-11-28(12-10-27)13-24(29)19-5-6-21-23(17(19)2)15-33-26(21)31/h3-6,24,29H,7-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | 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 86Rb+ efflux 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)) | 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 | 45 | 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 86Rb+ efflux 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)) | 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 | 45 | 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 86Rb+ efflux 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)) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 52 | 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 86Rb+ efflux 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)) | 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 | Reactome pathway
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| n/a | n/a | 52 | 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 86Rb+ efflux 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
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| n/a | n/a | 59 | 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)) | 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
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| n/a | n/a | 59 | 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
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| n/a | n/a | 68 | 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 86Rb+ efflux 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
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| n/a | n/a | 68 | 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 86Rb+ efflux 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)) | BDBM50533147
(CHEMBL4566857)Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H25FN6O3/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(25)13-29-8-10-30(11-9-29)23(32)12-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,22H,8-14H2,1H3 | Reactome pathway
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| n/a | n/a | 69 | 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 86Rb+ efflux 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)) | BDBM50533147
(CHEMBL4566857)Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H25FN6O3/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(25)13-29-8-10-30(11-9-29)23(32)12-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,22H,8-14H2,1H3 | Reactome pathway
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| n/a | n/a | 69 | 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 86Rb+ efflux 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)) | BDBM50533151
(CHEMBL4534171)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H30N2O4/c1-17-19(3-5-21-23(17)15-31-25(21)29)7-9-27-11-13-28(14-12-27)10-8-20-4-6-22-24(18(20)2)16-32-26(22)30/h3-6H,7-16H2,1-2H3 | Reactome pathway
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| n/a | n/a | 76 | 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 86Rb+ efflux 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)) | BDBM50533151
(CHEMBL4534171)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H30N2O4/c1-17-19(3-5-21-23(17)15-31-25(21)29)7-9-27-11-13-28(14-12-27)10-8-20-4-6-22-24(18(20)2)16-32-26(22)30/h3-6H,7-16H2,1-2H3 | Reactome pathway
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| n/a | n/a | 76 | 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 86Rb+ efflux 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)) | BDBM50391762
(CHEMBL2146870)Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12 Show InChI InChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2 | Reactome pathway
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| n/a | n/a | 89 | 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 86Rb+ efflux 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)) | BDBM50391762
(CHEMBL2146870)Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12 Show InChI InChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2 | Reactome pathway
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| n/a | n/a | 89 | 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 86Rb+ efflux 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)) | BDBM50533146
(CHEMBL4573466)Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3 | Reactome pathway
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| n/a | n/a | 96 | 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 86Rb+ efflux 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)) | BDBM50533146
(CHEMBL4573466)Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3 | Reactome pathway
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| n/a | n/a | 96 | 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 86Rb+ efflux 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
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| 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 ROMK (unknown origin) after 30 mins by 86Rb+ efflux 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
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| 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 ROMK (unknown origin) after 30 mins by 86Rb+ efflux 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)) | BDBM50533146
(CHEMBL4573466)Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3 | Reactome pathway
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| n/a | n/a | 117 | 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)) | BDBM50533146
(CHEMBL4573466)Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3 | Reactome pathway
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PubMed
| n/a | n/a | 117 | 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 | |
Sodium-dependent serotonin transporter
(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
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
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 | |
Sodium-dependent serotonin transporter
(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
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
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
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 134 | 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 86Rb+ efflux 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 | 134 | 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 86Rb+ efflux 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)) | BDBM50533150
(CHEMBL4522413)Show SMILES CC(CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C Show InChI InChI=1S/C25H28N6O3/c1-17(21-7-8-22-23(18(21)2)15-34-25(22)33)14-29-9-11-30(12-10-29)24(32)13-19-3-5-20(6-4-19)31-16-26-27-28-31/h3-8,16-17H,9-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | 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 86Rb+ efflux 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)) | BDBM50533150
(CHEMBL4522413)Show SMILES CC(CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C Show InChI InChI=1S/C25H28N6O3/c1-17(21-7-8-22-23(18(21)2)15-34-25(22)33)14-29-9-11-30(12-10-29)24(32)13-19-3-5-20(6-4-19)31-16-26-27-28-31/h3-8,16-17H,9-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | 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 86Rb+ efflux 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)) | BDBM50442609
(CHEMBL2441417)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3 | Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | 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 86Rb+ efflux 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)) | BDBM50442609
(CHEMBL2441417)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3 | 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 | 190 | 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 86Rb+ efflux 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)) | BDBM50533149
(CHEMBL4438583)Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O4/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(31)13-28-8-10-29(11-9-28)23(32)12-17-2-4-18(5-3-17)30-15-25-26-27-30/h2-7,15,22,31H,8-14H2,1H3 | Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 510 | 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 86Rb+ efflux 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)) | BDBM50533149
(CHEMBL4438583)Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O4/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(31)13-28-8-10-29(11-9-28)23(32)12-17-2-4-18(5-3-17)30-15-25-26-27-30/h2-7,15,22,31H,8-14H2,1H3 | Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 510 | 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 86Rb+ efflux 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)) | BDBM50391762
(CHEMBL2146870)Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12 Show InChI InChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]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)) | BDBM50391762
(CHEMBL2146870)Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12 Show InChI InChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]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 | |
Sodium-dependent serotonin transporter
(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
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-serotonin uptake at human SERT transfected in HEK293 cells |
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 | |
Sodium-dependent serotonin transporter
(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
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-serotonin uptake at human SERT transfected in HEK293 cells |
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 | |
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