BDBM50418550 CHEMBL1784698

SMILES: COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1

InChI Key: InChIKey=AWOBNFLQJMXKNX-UHFFFAOYSA-N

Data: 1 EC50

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 = 50418550   

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 2C9 (Homo sapiens (Human))	BDBM50418550 (CHEMBL1784698) Show SMILES COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1 Show InChI InChI=1S/C16H17NO6S/c1-21-12-5-7-13(8-6-12)24(19,20)17-14-10-11(16(18)23-3)4-9-15(14)22-2/h4-10,17H,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	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a
Elara Pharmaceuticals GmbH Curated by ChEMBL					Assay Description Inhibition of CYP2C9 after 30 mins by luminescence assay				J Med Chem 54: 3982-6 (2011) Article DOI: 10.1021/jm200272h BindingDB Entry DOI: 10.7270/Q22808VH
					More data for this Ligand-Target Pair