BDBM50409896 CHEMBL2110247

SMILES: COC(=O)c1ccc2nc([nH]c2c1)[S@](=O)Cc1nccc(OC)c1OC

InChI Key: InChIKey=ONXDCEYKZWLBBI-AREMUKBSSA-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 = 50409896   

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))	BDBM50409896 (CHEMBL2110247) Show SMILES COC(=O)c1ccc2nc([nH]c2c1)[S@](=O)Cc1nccc(OC)c1OC |r| Show InChI InChI=1S/C17H17N3O5S/c1-23-14-6-7-18-13(15(14)24-2)9-26(22)17-19-11-5-4-10(16(21)25-3)8-12(11)20-17/h4-8H,9H2,1-3H3,(H,19,20)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity towards cytochrome P450 2C9				J Med Chem 47: 907-14 (2004) Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3
					More data for this Ligand-Target Pair