BDBM50303443 CHEMBL567136::Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(thien-3-yl)methoxycyclohex-2-en-1-carboxylate
SMILES: O[C@@H]1C[C@@](O)(C=C(OCc2cccs2)[C@H]1O)C([O-])=O
InChI Key: InChIKey=CSDNNYWMDMQQHS-UBHAPETDSA-M
Data: 2 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 (Mycobacterium tuberculosis) | BDBM50303443 (CHEMBL567136 | Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 235 | 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 Competitive inhibition of Mycobacterium tuberculosis DHQ2 | J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Helicobacter pylori) | BDBM50303443 (CHEMBL567136 | Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(t...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 920 | 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 Inhibition of Helicobacter pylori DHQ2 by UV spectroscopy | J Med Chem 53: 191-200 (2010) Article DOI: 10.1021/jm9010466 BindingDB Entry DOI: 10.7270/Q2Q52PQ9 | |||||||||||
More data for this Ligand-Target Pair |