Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol 14-alpha demethylase' and Ligand = 'BDBM50493545'   

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)	BDBM50493545 (CHEMBL2431529) Show SMILES CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 |r,wD:3.2,(20.24,-15.43,;18.91,-16.2,;17.58,-15.44,;18.92,-17.74,;20.25,-18.5,;21.58,-17.73,;21.58,-16.19,;22.92,-18.49,;24.25,-17.72,;25.58,-18.49,;25.58,-20.03,;26.92,-20.8,;24.25,-20.8,;22.92,-20.03,;17.59,-18.51,;17.59,-20.05,;16.25,-17.75,;14.92,-18.52,;13.58,-17.76,;12.25,-18.53,;12.25,-20.07,;13.58,-20.85,;14.92,-20.07,)| Show InChI InChI=1S/C18H27N3O2/c1-12(2)16(18(23)20-15-8-10-19-11-9-15)21-17(22)14-6-4-13(3)5-7-14/h8-14,16H,4-7H2,1-3H3,(H,21,22)(H,19,20,23)/t13?,14?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.20E+3	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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