BDBM50163308 3-O-Caffeoylquinic Acid::CHEBI:16384::CHEMBL249450
SMILES: O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)C(O)=O
InChI Key: InChIKey=CWVRJTMFETXNAD-NXLLHMKUSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase (Homo sapiens (Human)) | BDBM50163308 (3-O-Caffeoylquinic Acid | CHEBI:16384 | CHEMBL2494...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sungkyunkwan University Curated by ChEMBL | Assay Description Inhibition of HDAC in human HeLa nuclear extract using fluor de lys as substrate after 10 to 15 mins by spectrofluorometry | Bioorg Med Chem Lett 26: 2365-9 (2016) BindingDB Entry DOI: 10.7270/Q2KH0Q6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase (Homo sapiens (Human)) | BDBM50163308 (3-O-Caffeoylquinic Acid | CHEBI:16384 | CHEMBL2494...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sungkyunkwan University Curated by ChEMBL | Assay Description Inhibition of HDAC in human HeLa cells using Boc-Lys(AC)-AMC as substrate after 24 to 48 hrs by spectrofluorometry | Bioorg Med Chem Lett 26: 2365-9 (2016) BindingDB Entry DOI: 10.7270/Q2KH0Q6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (fumarate) (Leishmania major) | BDBM50163308 (3-O-Caffeoylquinic Acid | CHEBI:16384 | CHEMBL2494...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.13E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured... | Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (fumarate) (Leishmania major) | BDBM50163308 (3-O-Caffeoylquinic Acid | CHEBI:16384 | CHEMBL2494...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.26E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured... | Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50163308 (3-O-Caffeoylquinic Acid | CHEBI:16384 | CHEMBL2494...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of PTP1B (unknown origin) | Bioorg Med Chem Lett 28: 1194-1197 (2018) Article DOI: 10.1016/j.bmcl.2018.02.052 BindingDB Entry DOI: 10.7270/Q20Z75V6 | |||||||||||
More data for this Ligand-Target Pair |