BDBM50411367 CHEMBL242600

SMILES: COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C

InChI Key: InChIKey=HMXWHDMFAKYACA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411367   

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))	BDBM50411367 (CHEMBL242600) Show SMILES COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-25(30-34-19)23-6-5-20-11-14-32(15-12-22(20)18-23)13-4-16-35-27-29-28-26(31(27)2)21-7-9-24(33-3)10-8-21/h5-10,17-18H,4,11-16H2,1-3H3	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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair