BDBM50408932 CHEMBL2114284

SMILES: COc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12

InChI Key: InChIKey=FGAWENWBTHQLEE-MRXNPFEDSA-N

Data: 2 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 2 hits for monomerid = 50408932   

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))	BDBM50408932 (CHEMBL2114284) Show SMILES COc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	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 was measured on Cytochrome P450 2C9				J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50408932 (CHEMBL2114284) Show SMILES COc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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 was measured on Cytochrome P450 2C9				J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q
					More data for this Ligand-Target Pair