Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol 14-alpha demethylase' and Ligand = 'BDBM29343'   

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
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29343 (Indomethacin-amide derivative, 13) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3C)c2c1 Show InChI InChI=1S/C25H22ClN3O3/c1-15-22(5-4-12-27-15)28-24(30)14-20-16(2)29(23-11-10-19(32-3)13-21(20)23)25(31)17-6-8-18(26)9-7-17/h4-13H,14H2,1-3H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
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