Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50330316'   

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 (Escherichia coli (strain K12))	BDBM50330316 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C34H36ClN3O12/c1-14(2)29(42)37-19-13-16(8-11-20(19)39)30(43)38-23-24(40)17-9-12-21(22(35)26(17)48-32(23)45)47-33-25(41)27(28(46-6)34(4,5)50-33)49-31(44)18-10-7-15(3)36-18/h7-14,25,27-28,33,36,39-41H,1-6H3,(H,37,42)(H,38,43)/t25-,27+,28-,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330316 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C34H36ClN3O12/c1-14(2)29(42)37-19-13-16(8-11-20(19)39)30(43)38-23-24(40)17-9-12-21(22(35)26(17)48-32(23)45)47-33-25(41)27(28(46-6)34(4,5)50-33)49-31(44)18-10-7-15(3)36-18/h7-14,25,27-28,33,36,39-41H,1-6H3,(H,37,42)(H,38,43)/t25-,27+,28-,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair