BDBM50273685 2-(4-Chloro-6-(phenethylamino)pyrimidin-2-ylthio)octanoic acid::CHEMBL460185
SMILES: CCCCCCC(Sc1nc(Cl)cc(NCCc2ccccc2)n1)C(O)=O
InChI Key: InChIKey=BJBAGSHQHZYGGS-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM50273685 (2-(4-Chloro-6-(phenethylamino)pyrimidin-2-ylthio)o...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 | J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50273685 (2-(4-Chloro-6-(phenethylamino)pyrimidin-2-ylthio)o...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen Curated by ChEMBL | Assay Description Inhibition of ovine COX1 | J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 | |||||||||||
More data for this Ligand-Target Pair |