Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50330295'   

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))	BDBM50330295 ((2R,3R,4R,5R)-4-hydroxy-2-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3OC(=O)c3ccc(C)[nH]3)c(C)c2oc1=O |r| Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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))	BDBM50330295 ((2R,3R,4R,5R)-4-hydroxy-2-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3OC(=O)c3ccc(C)[nH]3)c(C)c2oc1=O |r| Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	758	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