BDBM50330314 (3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylthio)benzamido)-2-oxo-2H-chromen-7-yloxy)-5-hydroxy-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate::CHEMBL1275844

SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C

InChI Key: InChIKey=XOMHJPBHEZEXNM-CPPKFOPJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50330314   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50330314 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylth...) 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(SC)cc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)30(44-31(2,3)26(25)40-4)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26-,30-/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	20	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))	BDBM50330314 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylth...) 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(SC)cc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)30(44-31(2,3)26(25)40-4)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26-,30-/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	84	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