Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol 14-alpha demethylase' and Ligand = 'BDBM50493539'   

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)	BDBM50493539 (CHEMBL2431626) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Oc2ccccc2)c1 |r| Show InChI InChI=1S/C29H24N4O3/c34-28(20-7-6-10-24(17-20)36-23-8-2-1-3-9-23)33-27(29(35)32-22-13-15-30-16-14-22)18-21-19-31-26-12-5-4-11-25(21)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
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