Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional ligase/repressor BirA' and Ligand = 'BDBM161472'   

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)	BDBM161472 (US9108978, 2.02) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/p-1/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	30	-44.7	203	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
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161472 (US9108978, 2.02) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/p-1/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	225	-39.5	n/a	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
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161472 (US9108978, 2.02) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/p-1/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	420	-37.9	n/a	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
					More data for this Ligand-Target Pair