BDBM50330322 CHEMBL1276305::N-(7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yloxy)-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-methoxybenzamide

SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2C)OC1(C)C

InChI Key: InChIKey=VLIKWDISZNWZHF-SEINPYIVSA-N

Data: 1 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 1 hit for monomerid = 50330322   

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))	BDBM50330322 (CHEMBL1276305 | N-(7-((2R,3R,4S,5R)-3,4-dihydroxy-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C26H29NO11/c1-11-15(36-25-20(31)19(30)22(35-5)26(2,3)38-25)9-7-13-18(29)17(24(33)37-21(11)13)27-23(32)12-6-8-14(28)16(10-12)34-4/h6-10,19-20,22,25,28-31H,1-5H3,(H,27,32)/t19-,20+,22+,25+/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	>1.00E+4	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