BDBM50318663 (1S,3R)-5'-Chloro-6,7-difluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3'-indol]-2'(1'H)-one::CHEMBL1086478

SMILES: C[C@@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc21

InChI Key: InChIKey=JZCVYBQWYSYJEA-YLVJLNSGSA-N

Data: 1 IC50

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 = 50318663   

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))	BDBM50318663 ((1S,3R)-5'-Chloro-6,7-difluoro-3-methyl-2,3,4,9-te...) Show SMILES C[C@@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H14ClF2N3O/c1-8-4-11-10-6-13(21)14(22)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,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