BDBM50330319 (3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3,5-dimethylbenzamido)-2-oxo-2H-chromen-7-yloxy)-5-hydroxy-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate::CHEMBL1275840

SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C

InChI Key: InChIKey=DOFGTZAYJOIEPN-PPOHMGSZSA-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 = 50330319   

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))	BDBM50330319 ((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)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-24(38)26(27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27-,31-/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	17	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))	BDBM50330319 ((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)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-24(38)26(27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27-,31-/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	65	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