BDBM50193868 4-{3-(5-chloro-pyridin-2-ylcarbamoyl)-4-[4-(N,N-dimethyl-carbamimidoyl)-benzoylamino]-phenylsulfanyl}-benzoic acid methyl ester::CHEMBL221921

SMILES: COC(=O)c1ccc(Sc2ccc(NC(=O)c3ccc(cc3)C(=N)N(C)C)c(c2)C(=O)Nc2ccc(Cl)cn2)cc1

InChI Key: InChIKey=FTODRPKUIDSQRH-UHFFFAOYSA-N

Data: 1 KI

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 = 50193868   

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))	BDBM50193868 (4-{3-(5-chloro-pyridin-2-ylcarbamoyl)-4-[4-(N,N-di...) Show SMILES COC(=O)c1ccc(Sc2ccc(NC(=O)c3ccc(cc3)C(=N)N(C)C)c(c2)C(=O)Nc2ccc(Cl)cn2)cc1 Show InChI InChI=1S/C30H26ClN5O4S/c1-36(2)27(32)18-4-6-19(7-5-18)28(37)34-25-14-13-23(41-22-11-8-20(9-12-22)30(39)40-3)16-24(25)29(38)35-26-15-10-21(31)17-33-26/h4-17,32H,1-3H3,(H,34,37)(H,33,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5507-12 (2006) Article DOI: 10.1016/j.bmcl.2006.08.039 BindingDB Entry DOI: 10.7270/Q2SF2X05
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