BDBM50137059 4-((1R,4R,5R)-1-Carboxy-4,5-dihydroxy-cyclohex-2-enyloxymethyl)-benzoic acid::CHEMBL152738

SMILES: O[C@@H]1C[C@@](OCc2ccc(cc2)C(O)=O)(C=C[C@H]1O)C(O)=O

InChI Key: InChIKey=GFNIEDZYXVWBOK-JMSVASOKSA-N

Data: 1 KI

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 = 50137059   

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
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137059 (4-((1R,4R,5R)-1-Carboxy-4,5-dihydroxy-cyclohex-2-e...) Show SMILES O[C@@H]1C[C@@](OCc2ccc(cc2)C(O)=O)(C=C[C@H]1O)C(O)=O |c:16| Show InChI InChI=1S/C15H16O7/c16-11-5-6-15(14(20)21,7-12(11)17)22-8-9-1-3-10(4-2-9)13(18)19/h1-6,11-12,16-17H,7-8H2,(H,18,19)(H,20,21)/t11-,12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair