Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50048040   

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 B (Mycobacterium smegmatis)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202058 (CHEMBL3949206) Show SMILES Fc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18ClFN4S/c21-14-1-6-17-18(13-14)23-8-7-19(17)25-9-11-26(12-10-25)20(27)24-16-4-2-15(22)3-5-16/h1-8,13H,9-12H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202018 (CHEMBL3941457) Show SMILES Fc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18ClFN4O/c21-14-1-6-17-18(13-14)23-8-7-19(17)25-9-11-26(12-10-25)20(27)24-16-4-2-15(22)3-5-16/h1-8,13H,9-12H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202009 (CHEMBL3978320) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=S)Nc1ccccc1 Show InChI InChI=1S/C20H19ClN4S/c21-15-6-7-17-18(14-15)22-9-8-19(17)24-10-12-25(13-11-24)20(26)23-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50134880 (4-(7-Chloro-quinolin-4-yl)-piperazine-1-carbothioi...) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=S)NCc1ccccc1 Show InChI InChI=1S/C21H21ClN4S/c22-17-6-7-18-19(14-17)23-9-8-20(18)25-10-12-26(13-11-25)21(27)24-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202020 (CHEMBL3898197) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21ClN4O/c22-17-6-7-18-19(14-17)23-9-8-20(18)25-10-12-26(13-11-25)21(27)24-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202231 (CHEMBL3957846) Show SMILES [O-][N+](=O)c1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18ClN5O2S/c21-14-1-6-17-18(13-14)22-8-7-19(17)24-9-11-25(12-10-24)20(29)23-15-2-4-16(5-3-15)26(27)28/h1-8,13H,9-12H2,(H,23,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202229 (CHEMBL3968705) Show SMILES CC(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C23H23ClN4O2/c1-16(29)17-2-5-19(6-3-17)26-23(30)15-27-10-12-28(13-11-27)22-8-9-25-21-14-18(24)4-7-20(21)22/h2-9,14H,10-13,15H2,1H3,(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202202 (CHEMBL3977363) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19ClN4O/c21-15-6-7-17-18(14-15)22-9-8-19(17)24-10-12-25(13-11-24)20(26)23-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202017 (CHEMBL3967142) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(Cc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C22H21ClN4/c23-17-5-6-19-21(13-17)24-8-7-22(19)27-11-9-26(10-12-27)15-16-14-25-20-4-2-1-3-18(16)20/h1-8,13-14,25H,9-12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202237 (CHEMBL3957660) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C22H19ClN4O/c23-16-5-6-17-19(14-16)24-8-7-21(17)26-9-11-27(12-10-26)22(28)20-13-15-3-1-2-4-18(15)25-20/h1-8,13-14,25H,9-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202207 (CHEMBL3895213) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)Nc2ccccn2)CC1 Show InChI InChI=1S/C20H20ClN5O/c21-15-4-5-16-17(13-15)22-8-6-18(16)26-11-9-25(10-12-26)14-20(27)24-19-3-1-2-7-23-19/h1-8,13H,9-12,14H2,(H,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202238 (CHEMBL3916010) Show SMILES [O-][N+](=O)c1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18ClN5O3/c21-14-1-6-17-18(13-14)22-8-7-19(17)24-9-11-25(12-10-24)20(27)23-15-2-4-16(5-3-15)26(28)29/h1-8,13H,9-12H2,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202005 (CHEMBL3921744) Show SMILES [O-][N+](=O)c1cnc(s1)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C16H14ClN5O2S/c17-11-1-2-12-13(9-11)18-4-3-14(12)20-5-7-21(8-6-20)16-19-10-15(25-16)22(23)24/h1-4,9-10H,5-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202235 (CHEMBL1822275) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18Cl2N4O/c21-14-1-4-16(5-2-14)24-20(27)26-11-9-25(10-12-26)19-7-8-23-18-13-15(22)3-6-17(18)19/h1-8,13H,9-12H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202225 (CHEMBL3923417) Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C22H18Cl2N4O/c23-15-2-4-18-14(11-15)12-20(26-18)22(29)28-9-7-27(8-10-28)21-5-6-25-19-13-16(24)1-3-17(19)21/h1-6,11-13,26H,7-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202021 (CHEMBL3893738) Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)c2ccnc3cc(Cl)ccc23)c2nonc12 Show InChI InChI=1S/C19H15ClN6O3/c20-12-1-2-13-14(11-12)21-6-5-15(13)24-7-9-25(10-8-24)16-3-4-17(26(27)28)19-18(16)22-29-23-19/h1-6,11H,7-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202116 (CHEMBL3986544) Show SMILES Clc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18Cl2N4S/c21-14-1-4-16(5-2-14)24-20(27)26-11-9-25(10-12-26)19-7-8-23-18-13-15(22)3-6-17(18)19/h1-8,13H,9-12H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202004 (CHEMBL3921436) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1ccccn1 Show InChI InChI=1S/C19H17ClN4O/c20-14-4-5-15-17(13-14)22-8-6-18(15)23-9-11-24(12-10-23)19(25)16-3-1-2-7-21-16/h1-8,13H,9-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202006 (CHEMBL3963549) Show SMILES COc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN4OS/c1-27-17-5-3-16(4-6-17)24-21(28)26-12-10-25(11-13-26)20-8-9-23-19-14-15(22)2-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202013 (CHEMBL3917318) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2ccccn2)CC1 Show InChI InChI=1S/C21H22ClN5O/c22-16-4-5-18-19(13-16)24-8-6-20(18)27-11-9-26(10-12-27)15-21(28)25-14-17-3-1-2-7-23-17/h1-8,13H,9-12,14-15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202226 (CHEMBL3895429) Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClFN4O/c23-15-1-3-17-19(13-15)25-6-5-21(17)27-7-9-28(10-8-27)22(29)20-12-14-11-16(24)2-4-18(14)26-20/h1-6,11-13,26H,7-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202012 (CHEMBL3967891) Show SMILES Cc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN4S/c1-15-2-5-17(6-3-15)24-21(27)26-12-10-25(11-13-26)20-8-9-23-19-14-16(22)4-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202224 (CHEMBL3955005) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1ccc[nH]1 Show InChI InChI=1S/C18H17ClN4O/c19-13-3-4-14-16(12-13)21-7-5-17(14)22-8-10-23(11-9-22)18(24)15-2-1-6-20-15/h1-7,12,20H,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202011 (CHEMBL3977204) Show SMILES [O-][N+](=O)c1cnc(NC(=O)CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)s1 Show InChI InChI=1S/C18H17ClN6O3S/c19-12-1-2-13-14(9-12)20-4-3-15(13)24-7-5-23(6-8-24)11-16(26)22-18-21-10-17(29-18)25(27)28/h1-4,9-10H,5-8,11H2,(H,21,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202003 (CHEMBL3985287) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2cccs2)CC1 Show InChI InChI=1S/C20H21ClN4OS/c21-15-3-4-17-18(12-15)22-6-5-19(17)25-9-7-24(8-10-25)14-20(26)23-13-16-2-1-11-27-16/h1-6,11-12H,7-10,13-14H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202203 (CHEMBL3897352) Show SMILES Cc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN4O/c1-15-2-5-17(6-3-15)24-21(27)26-12-10-25(11-13-26)20-8-9-23-19-14-16(22)4-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202221 (CHEMBL3939165) Show SMILES [O-][N+](=O)c1ccc2nc(NC(=O)CN3CCN(CC3)c3ccnc4cc(Cl)ccc34)sc2c1 Show InChI InChI=1S/C22H19ClN6O3S/c23-14-1-3-16-18(11-14)24-6-5-19(16)28-9-7-27(8-10-28)13-21(30)26-22-25-17-4-2-15(29(31)32)12-20(17)33-22/h1-6,11-12H,7-10,13H2,(H,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202208 (CHEMBL3947940) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2ccco2)CC1 Show InChI InChI=1S/C20H21ClN4O2/c21-15-3-4-17-18(12-15)22-6-5-19(17)25-9-7-24(8-10-25)14-20(26)23-13-16-2-1-11-27-16/h1-6,11-12H,7-10,13-14H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202014 (CHEMBL3937440) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(Cc2ccc[nH]2)CC1 Show InChI InChI=1S/C18H19ClN4/c19-14-3-4-16-17(12-14)21-7-5-18(16)23-10-8-22(9-11-23)13-15-2-1-6-20-15/h1-7,12,20H,8-11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202007 (CHEMBL3969397) Show SMILES CC(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C22H21ClN4O2/c1-15(28)16-2-5-18(6-3-16)25-22(29)27-12-10-26(11-13-27)21-8-9-24-20-14-17(23)4-7-19(20)21/h2-9,14H,10-13H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202227 (CHEMBL3943969) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN4O2/c1-28-17-5-3-16(4-6-17)24-21(27)26-12-10-25(11-13-26)20-8-9-23-19-14-15(22)2-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202016 (CHEMBL3963885) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C22H23ClN4O/c23-18-6-7-19-20(14-18)24-9-8-21(19)27-12-10-26(11-13-27)16-22(28)25-15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202230 (CHEMBL3935298) Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C23H21ClN4O2/c1-30-17-3-5-19-15(12-17)13-21(26-19)23(29)28-10-8-27(9-11-28)22-6-7-25-20-14-16(24)2-4-18(20)22/h2-7,12-14,26H,8-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202201 (CHEMBL3906720) Show SMILES CC(=O)c1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C22H21ClN4OS/c1-15(28)16-2-5-18(6-3-16)25-22(29)27-12-10-26(11-13-27)21-8-9-24-20-14-17(23)4-7-19(20)21/h2-9,14H,10-13H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202206 (CHEMBL3912093) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCCc2ccccn2)CC1 Show InChI InChI=1S/C22H24ClN5O/c23-17-4-5-19-20(15-17)25-10-7-21(19)28-13-11-27(12-14-28)16-22(29)26-9-6-18-3-1-2-8-24-18/h1-5,7-8,10,15H,6,9,11-14,16H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202223 (CHEMBL3930157) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C22H19Cl2F3N4O/c23-15-2-3-16-18(12-15)28-6-5-20(16)31-9-7-30(8-10-31)13-21(32)29-19-11-14(22(25,26)27)1-4-17(19)24/h1-6,11-12H,7-10,13H2,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202019 (CHEMBL3966158) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C21H20ClN5/c22-15-5-6-16-19(13-15)23-8-7-20(16)27-11-9-26(10-12-27)14-21-24-17-3-1-2-4-18(17)25-21/h1-8,13H,9-12,14H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202008 (CHEMBL3956599) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)Nc2ccccc2)CC1 Show InChI InChI=1S/C21H21ClN4O/c22-16-6-7-18-19(14-16)23-9-8-20(18)26-12-10-25(11-13-26)15-21(27)24-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202015 (CHEMBL3961399) Show SMILES CC(C)NC(=S)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C17H21ClN4S/c1-12(2)20-17(23)22-9-7-21(8-10-22)16-5-6-19-15-11-13(18)3-4-14(15)16/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202236 (CHEMBL3933913) Show SMILES CCNC(=S)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C16H19ClN4S/c1-2-18-16(22)21-9-7-20(8-10-21)15-5-6-19-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3,(H,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202010 (CHEMBL3952721) Show SMILES CC(C)NC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C17H21ClN4O/c1-12(2)20-17(23)22-9-7-21(8-10-22)16-5-6-19-15-11-13(18)3-4-14(15)16/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202204 (CHEMBL3925015) Show SMILES CCNC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C16H19ClN4O/c1-2-18-16(22)21-9-7-20(8-10-21)15-5-6-19-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3,(H,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202205 (CHEMBL3940083) Show SMILES COc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2ccccn2)CC1 Show InChI InChI=1S/C22H25N5O2/c1-29-18-5-6-19-20(14-18)24-9-7-21(19)27-12-10-26(11-13-27)16-22(28)25-15-17-4-2-3-8-23-17/h2-9,14H,10-13,15-16H2,1H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202001 (CHEMBL3948859) Show SMILES O=C(CN1CCN(CC1)c1ccnc2ccccc12)NCc1ccccn1 Show InChI InChI=1S/C21H23N5O/c27-21(24-15-17-5-3-4-9-22-17)16-25-11-13-26(14-12-25)20-8-10-23-19-7-2-1-6-18(19)20/h1-10H,11-16H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50202228 (CHEMBL3943840) Show SMILES FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2ccccn2)CC1 Show InChI InChI=1S/C22H22F3N5O/c23-22(24,25)16-4-5-18-19(13-16)27-8-6-20(18)30-11-9-29(10-12-30)15-21(31)28-14-17-3-1-2-7-26-17/h1-8,13H,9-12,14-15H2,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair