BDBM50318669 (1S,3R)-5'-Chloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3'-indol]-2'(1'H)-one::CHEMBL1083219
SMILES: C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc21
InChI Key: InChIKey=WGILEDPBANVMMK-HOGDKLEQSA-N
Data: 1 IC50
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)) | BDBM50318669 ((1S,3R)-5'-Chloro-6-fluoro-3-methyl-2,3,4,9-tetrah...) | 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 |