BDBM50201207 CHEMBL3910734

SMILES: [H][C@]12CS[C@@H](CCCCCc3cn(Cc4cccc(c4)C(F)(F)F)nn3)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=HNRMMOXUKLHZIO-BZSNNMDCSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50201207   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Biotin--protein ligase (Homo sapiens (Human))	BDBM50201207 (CHEMBL3910734) Show SMILES [H][C@]12CS[C@@H](CCCCCc3cn(Cc4cccc(c4)C(F)(F)F)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C20H24F3N5OS/c21-20(22,23)14-6-4-5-13(9-14)10-28-11-15(26-27-28)7-2-1-3-8-17-18-16(12-30-17)24-19(29)25-18/h4-6,9,11,16-18H,1-3,7-8,10,12H2,(H2,24,25,29)/t16-,17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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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