BDBM50330304 (3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-chromen-7-yloxy)-5-hydroxy-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate::CHEMBL1275889

SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C

InChI Key: InChIKey=QTCIMIHKLNNPCT-MNGFJMBLSA-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 = 50330304   

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))	BDBM50330304 ((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-ch...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C30H30N2O10/c1-15-10-13-19(31-15)27(36)41-24-23(34)29(42-30(2,3)25(24)38-4)39-17-11-12-18-20(14-17)40-28(37)21(22(18)33)32-26(35)16-8-6-5-7-9-16/h5-14,23-25,29,31,33-34H,1-4H3,(H,32,35)/t23-,24+,25-,29-/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	50	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))	BDBM50330304 ((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-ch...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C30H30N2O10/c1-15-10-13-19(31-15)27(36)41-24-23(34)29(42-30(2,3)25(24)38-4)39-17-11-12-18-20(14-17)40-28(37)21(22(18)33)32-26(35)16-8-6-5-7-9-16/h5-14,23-25,29,31,33-34H,1-4H3,(H,32,35)/t23-,24+,25-,29-/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	219	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