Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'kim' and Initial = 'yr'   

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
Sialidase (Clostridium perfringens)	BDBM50311581 (CHEMBL1086764 | erysubin E) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc2-[#6@@H]3-[#8]-c4c(ccc5-[#8]C([#6])([#6])[#6]=[#6]-c45)[C@]3([#8])[#6]-[#8]-c2cc1-[#8] |r,c:19| Show InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-11-17-21(12-19(15)26)28-13-25(27)18-7-8-20-16(22(18)29-23(17)25)9-10-24(3,4)30-20/h5,7-12,23,26-27H,6,13H2,1-4H3/t23-,25+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317430 (CHEMBL454849 | Erythrabyssin I | cristacarpin | cr...) Show SMILES [#6]-[#8]-c1ccc2c(-[#8]-[#6@H]3-c4ccc(-[#8])cc4-[#8]-[#6][C@@]23[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317435 (CHEMBL1096406 | Erythribyssin O) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2c3-[#6]-[#8]-c4cc(-[#8])c(-[#6]=O)cc4-c3oc12 Show InChI InChI=1S/C21H18O5/c1-11(2)3-4-14-17(23)6-5-13-16-10-25-19-8-18(24)12(9-22)7-15(19)21(16)26-20(13)14/h3,5-9,23-24H,4,10H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50311583 (Abyssinone II | CHEMBL508534 | phaseolidin | phase...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]-[#6@@H]-3-[#6@@H](-[#6]-[#8]-c4cc(-[#8])ccc-34)-c2ccc1-[#8] |r| Show InChI InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50311586 (CHEMBL1088462 | erystagallin A) Show SMILES [#6]-[#8]-c1ccc2c(-[#8]-[#6@H]3-c4cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc4-[#8]-[#6][C@@]23[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317436 (CHEMBL1096407 | calopocarpin) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r| Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317434 (CHEMBL1097045 | eryvarin D) Show SMILES [#6]-[#8]-c1ccc2c3-[#6]-[#8]-c4cc(-[#8])ccc4-c3oc2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H20O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,22H,6,11H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317431 (CHEMBL1098413 | demethylmedicarpin) Show SMILES Oc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317437 (CHEMBL1096408 | Erythribyssin L) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]-[#6@@H]-3-[#6@@H](-[#6]-[#8]-c4cc5-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c5cc-34)-c2ccc1-[#8] |r| Show InChI InChI=1S/C25H28O5/c1-13(2)5-6-16-19(26)8-7-15-18-12-28-21-11-20-14(10-22(27)25(3,4)30-20)9-17(21)24(18)29-23(15)16/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317438 (Abyssinone I | CHEMBL448350 | phaseollin) Show SMILES CC1(C)Oc2ccc3[C@@H]4COc5cc(O)ccc5[C@@H]4Oc3c2C=C1 |r,c:26| Show InChI InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317433 (CHEMBL1098729 | isoneorautenol) Show SMILES CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1 |r,c:26| Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317439 (CHEMBL1095422 | erysubin D) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4c(ccc5-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c45)-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r| Show InChI InChI=1S/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317432 (CHEMBL1098728 | NEORAUTENOL) Show SMILES CC1(C)Oc2cc3OC[C@@H]4[C@@H](Oc5cc(O)ccc45)c3cc2C=C1 |r,c:26| Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-17(9-16(11)24-20)22-10-15-13-4-3-12(21)8-18(13)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568718 (CHEMBL4857022) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(=O)NCCC(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568735 (CHEMBL4870243) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(=O)NCC#N)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568732 (CHEMBL4871682) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(F)c4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568731 (CHEMBL4873249) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccsc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568733 (CHEMBL4858015) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568728 (CHEMBL4850565) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(c4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568713 (CHEMBL4851285) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Br Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568720 (CHEMBL4862321) Show SMILES Cc1[nH]c(C(=O)Nc2nc3cc(O)c(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568737 (CHEMBL4852505) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)-c2nnn[nH]2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568732 (CHEMBL4871682) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(F)c4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568731 (CHEMBL4873249) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccsc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568730 (CHEMBL4878712) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccs4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568729 (CHEMBL4868482) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc(cc4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568728 (CHEMBL4850565) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(c4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568709 (CHEMBL4877458) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568730 (CHEMBL4878712) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccs4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568729 (CHEMBL4868482) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc(cc4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568727 (CHEMBL4867874) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN4CCOCC4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568726 (CHEMBL4854181) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568734 (CHEMBL4876030) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN4CCOCC4)cc(cc3s2)C(=O)NCC#N)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568717 (CHEMBL4874918) Show SMILES CCN(C(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2ccc(cc2s1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568724 (CHEMBL4850231) Show SMILES COc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568723 (CHEMBL4847090) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(F)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568722 (CHEMBL4847190) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568738 (CHEMBL4868407) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(N)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568708 (CHEMBL4863169) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(N)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568714 (CHEMBL4857352) Show SMILES OC(=O)c1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568725 (CHEMBL4873935) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568726 (CHEMBL4854181) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568707 (CHEMBL4866587) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(=O)NCC#N)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568723 (CHEMBL4847090) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(F)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568727 (CHEMBL4867874) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN4CCOCC4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50189478 (7-chloro-4-hydroxy-3-(2'-methoxy-biphenyl-3-yl)-2-...) Show SMILES COc1ccccc1-c1cccc(c1)-c1c(O)c2cc(C#N)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C23H15ClN2O3/c1-29-20-8-3-2-7-16(20)13-5-4-6-14(9-13)21-22(27)17-10-15(12-25)18(24)11-19(17)26-23(21)28/h2-11H,1H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human FAS				Bioorg Med Chem Lett 16: 4620-3 (2006) Article DOI: 10.1016/j.bmcl.2006.06.014 BindingDB Entry DOI: 10.7270/Q2FX7927
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568715 (CHEMBL4850124) Show SMILES OC(=O)c1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568722 (CHEMBL4847190) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568713 (CHEMBL4851285) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Br Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568716 (CHEMBL4857324) Show SMILES Cc1[nH]c(C(=O)N(C2CC2)c2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair

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