Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50095647' 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)) | BDBM50095647
(CHEMBL3590450)Show SMILES CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C78H112N22O18/c1-5-6-19-52(92-75(116)61(41-102)98-72(113)57(34-46-24-26-49(104)27-25-46)95-74(115)60(40-101)89-44(4)103)68(109)93-54(28-29-63(80)105)70(111)97-59(36-48-38-84-42-88-48)73(114)94-56(33-45-16-8-7-9-17-45)71(112)91-53(22-14-31-85-78(82)83)69(110)96-58(35-47-37-86-51-20-11-10-18-50(47)51)67(108)87-39-64(106)90-55(21-12-13-30-79)77(118)100-32-15-23-62(100)76(117)99-65(43(2)3)66(81)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,86,101-102,104H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,105)(H2,81,107)(H,84,88)(H,87,108)(H,89,103)(H,90,106)(H,91,112)(H,92,116)(H,93,109)(H,94,114)(H,95,115)(H,96,110)(H,97,111)(H,98,113)(H,99,117)(H4,82,83,85)/t52?,53?,54?,55?,56?,57-,58?,59?,60-,61-,62?,65?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095647
(CHEMBL3590450)Show SMILES CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C78H112N22O18/c1-5-6-19-52(92-75(116)61(41-102)98-72(113)57(34-46-24-26-49(104)27-25-46)95-74(115)60(40-101)89-44(4)103)68(109)93-54(28-29-63(80)105)70(111)97-59(36-48-38-84-42-88-48)73(114)94-56(33-45-16-8-7-9-17-45)71(112)91-53(22-14-31-85-78(82)83)69(110)96-58(35-47-37-86-51-20-11-10-18-50(47)51)67(108)87-39-64(106)90-55(21-12-13-30-79)77(118)100-32-15-23-62(100)76(117)99-65(43(2)3)66(81)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,86,101-102,104H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,105)(H2,81,107)(H,84,88)(H,87,108)(H,89,103)(H,90,106)(H,91,112)(H,92,116)(H,93,109)(H,94,114)(H,95,115)(H,96,110)(H,97,111)(H,98,113)(H,99,117)(H4,82,83,85)/t52?,53?,54?,55?,56?,57-,58?,59?,60-,61-,62?,65?/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 | n/a | 132 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this Ligand-Target Pair | |