Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lanosterol 14-alpha demethylase' and Ligand = 'BDBM25811'   

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
Lanosterol 14-alpha demethylase (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM25811 (4-phenyl-N-(pyridin-4-yl)oxane-4-carboxamide | 4-p...) Show SMILES O=C(Nc1ccncc1)C1(CCOCC1)c1ccccc1 Show InChI InChI=1S/C17H18N2O2/c20-16(19-15-6-10-18-11-7-15)17(8-12-21-13-9-17)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12-13H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	7.5	37
University of California at San Francisco					Assay Description The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...				Antimicrob Agents Chemother 51: 3915-23 (2007) Article DOI: 10.1128/AAC.00311-07 BindingDB Entry DOI: 10.7270/Q20V8B3R
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