Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Biotin--protein ligase' and Ligand = 'BDBM50201186'   

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
Biotin--protein ligase (Homo sapiens (Human))	BDBM50201186 (CHEMBL3923732) Show SMILES [H][C@]12CS[C@@H](CCCCCc3cn(Cc4ccccc4OC)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C20H27N5O2S/c1-27-17-9-6-5-7-14(17)11-25-12-15(23-24-25)8-3-2-4-10-18-19-16(13-28-18)21-20(26)22-19/h5-7,9,12,16,18-19H,2-4,8,10-11,13H2,1H3,(H2,21,22,26)/t16-,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...				ACS Med Chem Lett 7: 1068-1072 (2016) Article DOI: 10.1021/acsmedchemlett.6b00248 BindingDB Entry DOI: 10.7270/Q2QV3PGF
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