BDBM50409895 CHEMBL2110248

SMILES: Fc1ccc2nc([nH]c2c1)[S@@](=O)Cc1cc(OCC2CC2)ccn1

InChI Key: InChIKey=DIUOJMLXZJHNDR-DEOSSOPVSA-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 = 50409895   

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))	BDBM50409895 (CHEMBL2110248) Show SMILES Fc1ccc2nc([nH]c2c1)[S@@](=O)Cc1cc(OCC2CC2)ccn1 |r| Show InChI InChI=1S/C17H16FN3O2S/c18-12-3-4-15-16(7-12)21-17(20-15)24(22)10-13-8-14(5-6-19-13)23-9-11-1-2-11/h3-8,11H,1-2,9-10H2,(H,20,21)/t24-/m0/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	6.00E+4	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