BDBM50137064 (1R,4R,5R)-4,5-Dihydroxy-1-(4-hydroxymethyl-benzyloxy)-cyclohex-2-enecarboxylic acid::CHEMBL157279
SMILES: OCc1ccc(CO[C@@]2(C[C@@H](O)[C@H](O)C=C2)C(O)=O)cc1
InChI Key: InChIKey=JCEAOAIRAVBCET-NFAWXSAZSA-N
Data: 1 KI
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) | BDBM50137064![]() ((1R,4R,5R)-4,5-Dihydroxy-1-(4-hydroxymethyl-benzyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.33E+6 | 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 |