Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: P06709   

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
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM50039492 (CHEMBL1231498) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](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)/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	87	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 Escherichia coli recombinant BPL using 3H-biotin as substrate after 10 mins by liquid scintillation counting analysis				ACS Med Chem Lett 6: 216-20 (2015) Article DOI: 10.1021/ml500475n BindingDB Entry DOI: 10.7270/Q2VT1TTQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	-9.43	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	-9.04	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)	BDBM161470 (US9108978, 4.01) Show SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r| Show InChI InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	>3.00E+4	>-6.41	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)	BDBM161468 (US9108978, 6.09) Show SMILES Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2c1 |r| Show InChI InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	>3.00E+4	>-6.41	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)	BDBM161469 (US9108978, 6.07) Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)[C@H]2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-23-18-34-24(25(23)28-26)11-3-1-2-10-21-17-31(30-29-21)14-6-7-15-33-22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-9,12-13,16-17,23-25H,1-3,6-7,10-11,14-15,18H2,(H2,27,28,32)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	>-6.41	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)	BDBM161470 (US9108978, 4.01) Show SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r| Show InChI InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	>3.00E+4	>-6.41	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)	BDBM161469 (US9108978, 6.07) Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)[C@H]2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-23-18-34-24(25(23)28-26)11-3-1-2-10-21-17-31(30-29-21)14-6-7-15-33-22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-9,12-13,16-17,23-25H,1-3,6-7,10-11,14-15,18H2,(H2,27,28,32)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	>-6.41	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)	BDBM161468 (US9108978, 6.09) Show SMILES Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2c1 |r| Show InChI InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	>3.00E+4	>-6.41	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)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.41	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)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.41	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