Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50101976'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50101976 (ASARININ | Episesamin) Show SMILES [H][C@]12CO[C@H](c3ccc4OCOc4c3)[C@@]1([H])CO[C@H]2c1ccc2OCOc2c1 Show InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Prefectural University Curated by ChEMBL					Assay Description Mechanism-based inhibition of recombinant human CYP2C9 expressed in microsomes isolated from Saccharomyces cerevisiae AH22 cells assessed as diclofen...				Drug Metab Dispos 40: 1917-26 (2012) Article DOI: 10.1124/dmd.112.045906 BindingDB Entry DOI: 10.7270/Q28G8NFN
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