Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol 14-alpha demethylase' and Ligand = 'BDBM50493561'   

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)	BDBM50493561 (CHEMBL2431534) Show SMILES Fc1cc(ccc1OCc1ccccc1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C36H28F2N4O3/c37-30-18-24(25-11-13-34(31(38)19-25)45-22-23-6-2-1-3-7-23)10-12-29(30)35(43)42-33(36(44)41-27-14-16-39-17-15-27)20-26-21-40-32-9-5-4-8-28(26)32/h1-19,21,33,40H,20,22H2,(H,42,43)(H,39,41,44)/t33-/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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