BDBM50343049 (1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid methyl ester::CHEMBL416955::chlorogenic acid methyl ester::methyl chlorogenate
SMILES: COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1
InChI Key: InChIKey=MZNIJRAPCCELQX-AWOKGZDASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ribonuclease H (Escherichia coli (strain K12)) | BDBM50343049 ((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assay | Bioorg Med Chem Lett 21: 2840-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.091 BindingDB Entry DOI: 10.7270/Q2H70G48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribonuclease H (Escherichia coli (strain K12)) | BDBM50343049 ((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assay | Bioorg Med Chem Lett 21: 2840-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.091 BindingDB Entry DOI: 10.7270/Q2H70G48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50343049 ((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assay | Bioorg Med Chem 20: 5844-9 (2012) Article DOI: 10.1016/j.bmc.2012.08.001 BindingDB Entry DOI: 10.7270/Q2M048BH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50343049 ((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50343049 ((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
More data for this Ligand-Target Pair |