BDBM50457181 CHEMBL2094291::DNDI1318303

SMILES: COc1ccc(cc1Cl)N1C(=O)CN(Cc2ccccc2)C1=S

InChI Key: InChIKey=VSHSFPHRJGTTPB-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 = 50457181   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50457181 (CHEMBL2094291 | DNDI1318303) Show SMILES COc1ccc(cc1Cl)N1C(=O)CN(Cc2ccccc2)C1=S Show InChI InChI=1S/C17H15ClN2O2S/c1-22-15-8-7-13(9-14(15)18)20-16(21)11-19(17(20)23)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 8: 886-891 (2017) Article DOI: 10.1021/acsmedchemlett.7b00230 BindingDB Entry DOI: 10.7270/Q280556R
					More data for this Ligand-Target Pair