Compile Data Set for Download or QSAR

Found 40 hits with Last Name = '?igon' and Initial = 'd'   

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
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50494811 (CHEMBL3094350) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249798 (CHEMBL4795890) Show SMILES Cl.C[C@@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-9-16(18(26-3)10-17(14)22(2)19(12)23)21-27(24,25)15-6-4-13(11-20)5-7-15/h4-10,21H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249796 (CHEMBL4752072) Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249795 (CHEMBL4746419) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCNCC2)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C19H17N3O4S/c1-21-16-11-18(26-3)17(10-14(16)6-9-19(21)23)22(2)27(24,25)15-7-4-13(12-20)5-8-15/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249820 (CHEMBL4779341) Show SMILES Cl.OC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)c(OC2CCNCC2)c1 Show InChI InChI=1S/C20H19N3O4S/c1-13(2)27-19-11-18-15(6-9-20(24)23(18)3)10-17(19)22-28(25,26)16-7-4-14(12-21)5-8-16/h4-11,13,22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249800 (CHEMBL4763664) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2O[C@H]2CCNC2)C(=O)NCC(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249799 (CHEMBL4789899) Show SMILES Cl.COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1 |r| Show InChI InChI=1S/C18H18N2O4S/c1-12-9-13-10-15(17(24-3)11-16(13)20(2)18(12)21)19-25(22,23)14-7-5-4-6-8-14/h4-11,19H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	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	DrugBank PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249819 (CHEMBL4762395) Show SMILES Cl.COC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1 |r| Show InChI InChI=1S/C22H23N3O4S/c1-14(2)25(30(27,28)21-9-6-16(13-23)11-20(21)29-5)18-7-8-19-17(12-18)10-15(3)22(26)24(19)4/h6-12,14H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50266298 (CHEMBL4741104) Show SMILES CCOC(=O)c1cn(CC)c2cc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)ccc2c1=O Show InChI InChI=1S/C22H16ClN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249821 (CHEMBL4756218) Show SMILES C[C@@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(O)=O |r| Show InChI InChI=1S/C18H15N3O3S/c1-12-9-18(22)21(2)17-8-5-14(10-16(12)17)20-25(23,24)15-6-3-13(11-19)4-7-15/h3-10,20H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249801 (CHEMBL4793836) Show SMILES Cl.COC(=O)CNC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(O[C@H]2CCNC2)c1 |r| Show InChI InChI=1S/C17H16N2O4S/c1-19-15-11-16(23-2)14(10-12(15)8-9-17(19)20)18-24(21,22)13-6-4-3-5-7-13/h3-11,18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50266297 (CHEMBL4794217) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2)-n2nn[nH]c2=O)c(Cl)c1Cl Show InChI InChI=1S/C22H16BrN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249794 (CHEMBL4785583) Show SMILES C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(O)=O |r| Show InChI InChI=1S/C20H19N3O4S/c1-13-9-15-11-16(6-7-17(15)22(2)20(13)24)23(3)28(25,26)19-8-5-14(12-21)10-18(19)27-4/h5-11H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249788 (CHEMBL4758478) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C21H21N3O4S/c1-5-24(29(26,27)20-9-6-15(13-22)11-19(20)28-4)17-7-8-18-16(12-17)10-14(2)21(25)23(18)3/h6-12H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249812 (CHEMBL4746628) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2O[C@H]2CCN(C2)C(=O)OC(C)(C)C)C(=O)NCC(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C18H15N3O3S/c1-20-17-9-6-15(11-14(17)5-10-18(20)22)21(2)25(23,24)16-7-3-13(12-19)4-8-16/h3-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50266299 (CHEMBL4748595) Show SMILES Cc1[nH]c(C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C22H16N4O5/c1-11-7-17-18(24(3)22(29)23(17)2)10-16(11)25-20(27)14-6-4-5-12-8-13(26(30)31)9-15(19(12)14)21(25)28/h4-10H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50249796 (CHEMBL4752072) Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249822 (CHEMBL4748903) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2)C(=O)NS(C)(=O)=O)c(Cl)c1Cl Show InChI InChI=1S/C20H19N3O4S/c1-4-14-10-15-11-16(6-7-17(15)23(2)20(14)24)22-28(25,26)19-8-5-13(12-21)9-18(19)27-3/h5-11,22H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/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	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249808 (CHEMBL4776363) Show SMILES CC(C)Oc1cc(ccc1NC(=O)c1[nH]c(C)c(Cl)c1Cl)C(=O)N[C@H](C)c1n[nH]c(=S)o1 |r| Show InChI InChI=1S/C20H19N3O3S/c1-13(2)18-11-15-10-16(6-9-19(15)23(3)20(18)24)22-27(25,26)17-7-4-14(12-21)5-8-17/h4-11,13,22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50249800 (CHEMBL4763664) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2O[C@H]2CCNC2)C(=O)NCC(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50266293 (CHEMBL4799538) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2)C(=O)NCC#N)c(Cl)c1Cl Show InChI InChI=1S/C23H20N4O3/c1-24(2)16-11-17-18(26(4)23(30)25(17)3)12-19(16)27-21(28)14-9-5-7-13-8-6-10-15(20(13)14)22(27)29/h5-12H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249811 (CHEMBL4778649) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Oc1cc(ccc1NC(=O)c1cc(Br)c(Br)[nH]1)C(=O)NCC(O)=O Show InChI InChI=1S/C19H16FN3O4S/c1-11-6-13-8-14(9-15(20)18(13)23(2)19(11)24)22-28(25,26)17-5-4-12(10-21)7-16(17)27-3/h4-9,22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249796 (CHEMBL4752072) Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249794 (CHEMBL4785583) Show SMILES C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(O)=O |r| Show InChI InChI=1S/C20H19N3O4S/c1-13-9-15-11-16(6-7-17(15)22(2)20(13)24)23(3)28(25,26)19-8-5-14(12-21)10-18(19)27-4/h5-11H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50249801 (CHEMBL4793836) Show SMILES Cl.COC(=O)CNC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(O[C@H]2CCNC2)c1 |r| Show InChI InChI=1S/C17H16N2O4S/c1-19-15-11-16(23-2)14(10-12(15)8-9-17(19)20)18-24(21,22)13-6-4-3-5-7-13/h3-11,18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249823 (CHEMBL4749621) Show SMILES Brc1cc([nH]c1Br)C(=O)Nc1ccc(cc1)C(=O)NCC#N Show InChI InChI=1S/C16H20N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h7-11,14,17H,2-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50249795 (CHEMBL4746419) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCNCC2)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C19H17N3O4S/c1-21-16-11-18(26-3)17(10-14(16)6-9-19(21)23)22(2)27(24,25)15-7-4-13(12-20)5-8-15/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249798 (CHEMBL4795890) Show SMILES Cl.C[C@@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-9-16(18(26-3)10-17(14)22(2)19(12)23)21-27(24,25)15-6-4-13(11-20)5-7-15/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249802 (CHEMBL4791182) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc12 Show InChI InChI=1S/C21H21N3O4S/c1-13(2)17-11-15-10-16(6-7-18(15)24(3)21(17)25)23-29(26,27)20-8-5-14(12-22)9-19(20)28-4/h5-11,13,23H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50249788 (CHEMBL4758478) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C21H21N3O4S/c1-5-24(29(26,27)20-9-6-15(13-22)11-19(20)28-4)17-7-8-18-16(12-17)10-14(2)21(25)23(18)3/h6-12H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249802 (CHEMBL4791182) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc12 Show InChI InChI=1S/C21H21N3O4S/c1-13(2)17-11-15-10-16(6-7-18(15)24(3)21(17)25)23-29(26,27)20-8-5-14(12-22)9-19(20)28-4/h5-11,13,23H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50249799 (CHEMBL4789899) Show SMILES Cl.COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1 |r| Show InChI InChI=1S/C18H18N2O4S/c1-12-9-13-10-15(17(24-3)11-16(13)20(2)18(12)21)19-25(22,23)14-7-5-4-6-8-14/h4-11,19H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249799 (CHEMBL4789899) Show SMILES Cl.COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1 |r| Show InChI InChI=1S/C18H18N2O4S/c1-12-9-13-10-15(17(24-3)11-16(13)20(2)18(12)21)19-25(22,23)14-7-5-4-6-8-14/h4-11,19H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249795 (CHEMBL4746419) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCNCC2)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C19H17N3O4S/c1-21-16-11-18(26-3)17(10-14(16)6-9-19(21)23)22(2)27(24,25)15-7-4-13(12-20)5-8-15/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249800 (CHEMBL4763664) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2O[C@H]2CCNC2)C(=O)NCC(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50249788 (CHEMBL4758478) Show SMILES Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C21H21N3O4S/c1-5-24(29(26,27)20-9-6-15(13-22)11-19(20)28-4)17-7-8-18-16(12-17)10-14(2)21(25)23(18)3/h6-12H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50266294 (CHEMBL4763966) Show SMILES CCOC(=O)C(NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)cc1)C(=O)OCC Show InChI InChI=1S/C21H14BrN3O3/c1-23-16-9-14(22)15(10-17(16)24(2)21(23)28)25-19(26)12-7-3-5-11-6-4-8-13(18(11)12)20(25)27/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-ba...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair				3D Structure (crystal)