Found 6 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM50235200' 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)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/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 | 29 | 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 CHO cells by electrophysiology method |
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)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/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 | 29 | 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)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/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 | 41 | 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)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/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 | 41 | 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)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 41.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ... |
US Patent US9751881 (2017)
BindingDB Entry DOI: 10.7270/Q26M38ZP |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat 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 | |