Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional ligase/repressor BirA' and Ligand = 'BDBM161471'   

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
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161471 (US9108978, 6.34) Show SMILES Cc1ccc2oc(=O)n(CCCCOP([O-])(=O)OCCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2c1 |r| Show InChI InChI=1S/C22H32N3O7PS/c1-15-8-9-18-17(13-15)25(22(27)32-18)10-4-6-12-31-33(28,29)30-11-5-2-3-7-19-20-16(14-34-19)23-21(26)24-20/h8-9,13,16,19-20H,2-7,10-12,14H2,1H3,(H,28,29)(H2,23,24,26)/p-1/t16-,19-,20-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	>5.00E+4	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
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