BDBM50137060 (1R,4R,5R)-4-(4-Cyano-benzyloxy)-1,5-dihydroxy-cyclohex-2-enecarboxylic acid::CHEMBL157011

SMILES: O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)C#N)C(O)=O

InChI Key: InChIKey=OSLSQUDNWVROBG-NFAWXSAZSA-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 = 50137060   

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)	BDBM50137060 ((1R,4R,5R)-4-(4-Cyano-benzyloxy)-1,5-dihydroxy-cyc...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)C#N)C(O)=O |c:5| Show InChI InChI=1S/C15H15NO5/c16-8-10-1-3-11(4-2-10)9-21-13-5-6-15(20,14(18)19)7-12(13)17/h1-6,12-13,17,20H,7,9H2,(H,18,19)/t12-,13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+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