Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Biotin--protein ligase' and Ligand = 'BDBM50201195'   

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))	BDBM50201195 (CHEMBL3972792) Show SMILES [H][C@]12CS[C@@H](CCCCCc3cn(Cc4ccc(cc4)C(O)=O)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C20H25N5O3S/c26-19(27)14-8-6-13(7-9-14)10-25-11-15(23-24-25)4-2-1-3-5-17-18-16(12-29-17)21-20(28)22-18/h6-9,11,16-18H,1-5,10,12H2,(H,26,27)(H2,21,22,28)/t16-,17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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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