BDBM50318671 (1S,3R)-5'-Chloro-3-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,3'-indol]-2'(1'H)-one::CHEMBL1085369

SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc21

InChI Key: InChIKey=QGMFKGFHTXZZHX-DGIBIBHMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318671   

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))	BDBM50318671 ((1S,3R)-5'-Chloro-3-methyl-2,3,4,9-tetrahydrospiro...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H16ClN3O/c1-10-8-13-12-4-2-3-5-15(12)21-17(13)19(23-10)14-9-11(20)6-7-16(14)22-18(19)24/h2-7,9-10,21,23H,8H2,1H3,(H,22,24)/t10-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5155-64 (2010) Article DOI: 10.1021/jm100410f BindingDB Entry DOI: 10.7270/Q2TM7C2C
					More data for this Ligand-Target Pair