BDBM50273710 2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-2-ylthio)octanoic acid::CHEMBL462523
SMILES: CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O
InChI Key: InChIKey=FQMPYBCEABTPIK-UHFFFAOYSA-N
Data: 7 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 |
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Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
University of M£nster Curated by ChEMBL | Assay Description Inhibition of human recombinant mPGES-1 in assessed as conversion of PGH2 into PGE2 at 20 degC after 5 mins by HPLC-UV analysis | Eur J Med Chem 48: 153-63 (2012) Article DOI: 10.1016/j.ejmech.2011.12.009 BindingDB Entry DOI: 10.7270/Q2Z3203F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen Curated by ChEMBL | Assay Description Inhibition of PGES1 in human A549 cell microsome assessed as PGE2 formation by cell-free assay | 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 | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | 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 5-LO expressed in Escherichia coli by cell-free assay | 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB MMDB NCI pathway 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 | >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 E synthase (Homo sapiens (Human)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen Curated by ChEMBL | Assay Description Inhibition of mPGES1 in human A549 cells assessed as inhibition of IL-1-beta-induced PGE2 formation by cell-intact assay | 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)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase 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 | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen Curated by ChEMBL | Assay Description Inhibition of 5-LO in PMNL cells | 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 |