Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50045519   

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)	BDBM50423645 (Albamycin | Cathomycin | NOVOBIOCIN) 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] 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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066107 (CHEMBL3402951) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H14N2O2S/c19-16(21)14-11-15(12-7-3-1-4-8-12)23-18(14)20-17(22)13-9-5-2-6-10-13/h1-11H,(H2,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066117 (CHEMBL3402957) Show SMILES NC(=O)c1cc(sc1NC(=O)c1cccs1)-c1ccccc1 Show InChI InChI=1S/C16H12N2O2S2/c17-14(19)11-9-13(10-5-2-1-3-6-10)22-16(11)18-15(20)12-7-4-8-21-12/h1-9H,(H2,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066085 (CHEMBL3402933) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O2S/c19-16(22)14-11-15(12-7-3-1-4-8-12)24-17(14)21-18(23)20-13-9-5-2-6-10-13/h1-11H,(H2,19,22)(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066096 (CHEMBL3402942) Show SMILES Cc1ccc(NC(=S)Nc2sc(cc2C(N)=O)-c2ccccc2)cc1 Show InChI InChI=1S/C19H17N3OS2/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066081 (CHEMBL3402930) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14ClN3O2S/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066113 (CHEMBL3402954) Show SMILES CCCC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C15H16N2O2S/c1-2-6-13(18)17-15-11(14(16)19)9-12(20-15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,19)(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066089 (CHEMBL3402936) Show SMILES CC(C)NC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C15H17N3O2S/c1-9(2)17-15(20)18-14-11(13(16)19)8-12(21-14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,16,19)(H2,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.47E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066099 (CHEMBL3402945) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C18H13ClN2O2S/c19-13-8-6-12(7-9-13)17(23)21-18-14(16(20)22)10-15(24-18)11-4-2-1-3-5-11/h1-10H,(H2,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.69E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066100 (CHEMBL3402946) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C18H13N3O4S/c19-16(22)14-10-15(11-4-2-1-3-5-11)26-18(14)20-17(23)12-6-8-13(9-7-12)21(24)25/h1-10H,(H2,19,22)(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	8.91E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066116 (CHEMBL3402956) Show SMILES NC(=O)c1cc(sc1NC(=O)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c19-16(21)14-11-15(12-7-3-1-4-8-12)23-18(14)20-17(22)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066088 (CHEMBL3402935) Show SMILES NC(=O)c1cc(sc1NC(=O)NCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O2S/c20-17(23)15-11-16(14-9-5-2-6-10-14)25-18(15)22-19(24)21-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066090 (CHEMBL3402937) Show SMILES NC(=O)c1cc(sc1NC(=S)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14BrN3OS2/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066082 (CHEMBL3402931) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14FN3O2S/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066111 (CHEMBL3402953) Show SMILES CCC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C14H14N2O2S/c1-2-12(17)16-14-10(13(15)18)8-11(19-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066080 (CHEMBL3402929) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14BrN3O2S/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	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	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066083 (CHEMBL3402932) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C18H14N4O4S/c19-16(23)14-10-15(11-4-2-1-3-5-11)27-17(14)21-18(24)20-12-6-8-13(9-7-12)22(25)26/h1-10H,(H2,19,23)(H2,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066098 (CHEMBL3402944) Show SMILES CC(C)NC(=S)Nc1sc(cc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C15H17N3OS2/c1-9(2)17-15(20)18-14-11(13(16)19)8-12(21-14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,16,19)(H2,17,18,20)	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	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066106 (CHEMBL3402950) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccc(Oc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C24H18N2O3S/c25-22(27)20-15-21(16-7-3-1-4-8-16)30-24(20)26-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H2,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066104 (CHEMBL3402948) Show SMILES NC(=O)c1cc(sc1NC(=O)c1cnccn1)-c1ccccc1 Show InChI InChI=1S/C16H12N4O2S/c17-14(21)11-8-13(10-4-2-1-3-5-10)23-16(11)20-15(22)12-9-18-6-7-19-12/h1-9H,(H2,17,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066108 (CHEMBL3402952) Show SMILES CC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C13H12N2O2S/c1-8(16)15-13-10(12(14)17)7-11(18-13)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,17)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066105 (CHEMBL3402949) Show SMILES NC(=O)c1cc(sc1NC(=O)c1cc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H15N3O2S/c21-18(24)14-11-17(12-6-2-1-3-7-12)26-20(14)23-19(25)16-10-13-8-4-5-9-15(13)22-16/h1-11,22H,(H2,21,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066087 (CHEMBL3402934) Show SMILES Cc1ccc(NC(=O)Nc2sc(cc2C(N)=O)-c2ccccc2)cc1 Show InChI InChI=1S/C19H17N3O2S/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066097 (CHEMBL3402943) Show SMILES NC(=O)c1cc(sc1NC(=S)NCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H17N3OS2/c20-17(23)15-11-16(14-9-5-2-6-10-14)25-18(15)22-19(24)21-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066102 (CHEMBL3402947) Show SMILES NC(=O)c1cc(sc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H16N2O2S/c23-20(25)18-13-19(15-8-2-1-3-9-15)27-22(18)24-21(26)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H2,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066094 (CHEMBL3402940) Show SMILES NC(=O)c1cc(sc1NC(=S)Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C18H14N4O3S2/c19-16(23)14-10-15(11-4-2-1-3-5-11)27-17(14)21-18(26)20-12-6-8-13(9-7-12)22(24)25/h1-10H,(H2,19,23)(H2,20,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066114 (CHEMBL3402955) Show SMILES NC(=O)c1cc(sc1NC(=O)C1CCCC1)-c1ccccc1 Show InChI InChI=1S/C17H18N2O2S/c18-15(20)13-10-14(11-6-2-1-3-7-11)22-17(13)19-16(21)12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H2,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066093 (CHEMBL3402939) Show SMILES NC(=O)c1cc(sc1NC(=S)Nc1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14FN3OS2/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.89E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066095 (CHEMBL3402941) Show SMILES NC(=O)c1cc(sc1NC(=S)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3OS2/c19-16(22)14-11-15(12-7-3-1-4-8-12)24-17(14)21-18(23)20-13-9-5-2-6-10-13/h1-11H,(H2,19,22)(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.03E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066091 (CHEMBL3402938) Show SMILES NC(=O)c1cc(sc1NC(=S)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14ClN3OS2/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.14E+4	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair