BDBM50137068 (1R,4R,5R)-4-(2-Fluoro-benzyloxy)-1,5-dihydroxy-cyclohex-2-enecarboxylic acid::CHEMBL154171
SMILES: O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1F)C(O)=O
InChI Key: InChIKey=IVBPNGDTFDQFBH-BZPMIXESSA-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) | BDBM50137068 ((1R,4R,5R)-4-(2-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30E+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 |