BDBM50408942 CHEMBL2115260

SMILES: COc1oc2ccccc2c(=O)c1[C@@H](CC(C)=O)c1ccccc1

InChI Key: InChIKey=KPJFXKVKRXVOLK-INIZCTEOSA-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 = 50408942   

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))	BDBM50408942 (CHEMBL2115260) Show SMILES COc1oc2ccccc2c(=O)c1[C@@H](CC(C)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(22)15-10-6-7-11-17(15)24-20(18)23-2/h3-11,16H,12H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme				J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q
					More data for this Ligand-Target Pair