Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 26A1' and Ligand = 'BDBM50120459'   

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
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50120459 (CHEMBL3617981) Show SMILES CC(C)OC(=O)C(Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3/c1-16(2)28-22(27)20(14-25-13-12-23-15-25)24-21(26)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,15-16,20H,14H2,1-2H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins in dark condition with NADPH and ATRA by HPLC method				Bioorg Med Chem 23: 6763-73 (2015) Article DOI: 10.1016/j.bmc.2015.08.019 BindingDB Entry DOI: 10.7270/Q2668G0C
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