BDBM50128003 CHEMBL52627::MK-499::N-[1'-(6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl)-4-hydroxyspiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-6-yl]methanesulfonamide
SMILES: CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(O)c2c1
InChI Key: InChIKey=NIYGLRKUBPNXQS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50128003 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50128003
(CHEMBL52627 | MK-499 | N-[1'-(6-cyano-1,2,3,4-tetr...)Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(O)c2c1 Show InChI InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 |
Bioorg Med Chem Lett 13: 1829-35 (2003)
BindingDB Entry DOI: 10.7270/Q2TX3FX0 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50128003
(CHEMBL52627 | MK-499 | N-[1'-(6-cyano-1,2,3,4-tetr...)Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(O)c2c1 Show InChI InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TCG Lifesciences Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Eur J Med Chem 46: 618-30 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W |
More data for this Ligand-Target Pair | |