Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM107582'   

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))	BDBM107582 (US8575157, 10) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)NS(C)(=O)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C28H33N3O5S/c1-20(21-10-12-22(13-11-21)23-14-15-25(32)29-18-23)31-17-16-28(36-26(31)33,24-8-6-5-7-9-24)19-27(2,3)30-37(4,34)35/h5-15,18,20,30H,16-17,19H2,1-4H3,(H,29,32)/t20-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
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