Compile Data Set for Download or QSAR

Found 14 hits of kd for UniProtKB: P0AES6   

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
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095287 (CHEMBL3085880) Show SMILES Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r| Show InChI InChI=1S/C18H12Cl2N4OS/c1-25-10-2-3-11-12(6-10)17(18-22-4-5-26-18)24-23-16(11)7-13-14(19)8-21-9-15(13)20/h2-6,8-9H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095254 (CHEMBL3589530) Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095290 (CHEMBL3589531) Show SMILES COC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r| Show InChI InChI=1S/C17H12Cl2N6O/c1-26-10-2-3-11-12(4-10)17(25-9-21-8-22-25)24-23-16(11)5-13-14(18)6-20-7-15(13)19/h2-4,6-9H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095148 (CHEMBL3589535) Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r| Show InChI InChI=1S/C17H13N3O5/c21-13(22)4-8-2-1-3-10-11(8)6-12-15(10)19-17(25)16-18-9(5-14(23)24)7-20(12)16/h1-3,7H,4-6H2,(H,19,25)(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095149 (CHEMBL3589536) Show SMILES OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r| Show InChI InChI=1S/C16H11N3O5/c20-12(21)4-7-1-2-9-8(3-7)5-11-13(9)18-15(22)14-17-10(16(23)24)6-19(11)14/h1-3,6H,4-5H2,(H,18,22)(H,20,21)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095208 (CHEMBL3589076) Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50594763 (CHEMBL5182050) Show SMILES CNc1cccc2ccc(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01803 BindingDB Entry DOI: 10.7270/Q2KD22XQ
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50198240 (CHEMBL3908487) Show SMILES OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1 Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase B ATP binding site by surface plasmon resonance assay				J Med Chem 59: 8941-8954 (2016) Article DOI: 10.1021/acs.jmedchem.6b00864 BindingDB Entry DOI: 10.7270/Q25B04GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli H560 DNA gyrase B				Eur J Med Chem 124: 160-185 (2016) Article DOI: 10.1016/j.ejmech.2016.08.034 BindingDB Entry DOI: 10.7270/Q2K64M38
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50259168 (CHEMBL4062117) Show SMILES OC(=O)CCC(=O)N1CCC(CC1)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C21H23Br2N3O4/c22-16-12-17(24-20(16)23)21(30)26(13-14-4-2-1-3-5-14)15-8-10-25(11-9-15)18(27)6-7-19(28)29/h1-5,12,15,24H,6-11,13H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli ATCC 25922 DNA gyrase B by surface plasmon resonance assay				Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50259169 (CHEMBL4075133) Show SMILES OC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2cc(Br)c(Br)[nH]2)c1 Show InChI InChI=1S/C18H19Br2N3O3/c19-14-9-15(22-16(14)20)17(24)21-13-4-6-23(7-5-13)10-11-2-1-3-12(8-11)18(25)26/h1-3,8-9,13,22H,4-7,10H2,(H,21,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli ATCC 25922 DNA gyrase B by surface plasmon resonance assay				Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50259170 (CHEMBL4103680) Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C18H17Br2N3O4/c19-13-9-14(22-15(13)20)16(24)21-12-5-7-23(8-6-12)17(25)10-1-3-11(4-2-10)18(26)27/h1-4,9,12,22H,5-8H2,(H,21,24)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.56E+5	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli ATCC 25922 DNA gyrase B by surface plasmon resonance assay				Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50259163 (CHEMBL4083521) Show SMILES OC(=O)CCC(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C14H17Br2N3O4/c15-9-7-10(18-13(9)16)14(23)17-8-3-5-19(6-4-8)11(20)1-2-12(21)22/h7-8,18H,1-6H2,(H,17,23)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli ATCC 25922 DNA gyrase B by surface plasmon resonance assay				Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50095211 (CHEMBL3589079) Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair