BDBM50028854 CHEMBL3342693
SMILES: CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=BZYSILFNUIGABU-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50028854 (CHEMBL3342693) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited Curated by ChEMBL | Assay Description Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft... | Bioorg Med Chem Lett 24: 4838-44 (2014) Article DOI: 10.1016/j.bmcl.2014.08.056 BindingDB Entry DOI: 10.7270/Q2X068MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited Curated by ChEMBL | Assay Description Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft... | Bioorg Med Chem Lett 24: 4838-44 (2014) Article DOI: 10.1016/j.bmcl.2014.08.056 BindingDB Entry DOI: 10.7270/Q2X068MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta... | J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis | J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Canis familiaris) | BDBM50028854 (CHEMBL3342693) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of mPGES1 in LPS-induced dog whole blood assessed as suppression of PGE2 response pre-incubated for 30 mins followed by LPS addition and m... | J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena Curated by ChEMBL | Assay Description Inhibition of mPGES-1 in human A549 cells assessed as PEG2 formation preincubated for 30 mins followed by recombinant human interleukin 1beta additio... | J Med Chem 59: 5970-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01750 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis | J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena Curated by ChEMBL | Assay Description Inhibition of mPGES-1 in human whole blood cells assessed as PEG2 formation by LC/MS analysis | J Med Chem 59: 5970-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01750 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena Curated by ChEMBL | Assay Description Inhibition of mPGES-1 in human whole blood cells assessed as PEG2 formation by LC/MS analysis | J Med Chem 59: 5970-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01750 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena Curated by ChEMBL | Assay Description Inhibition of mPGES-1 in human A549 cells assessed as PEG2 formation preincubated for 30 mins followed by recombinant human interleukin 1beta additio... | J Med Chem 59: 5970-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01750 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50028854 (CHEMBL3342693) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited Curated by ChEMBL | Assay Description Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft... | Bioorg Med Chem Lett 24: 4838-44 (2014) Article DOI: 10.1016/j.bmcl.2014.08.056 BindingDB Entry DOI: 10.7270/Q2X068MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50028854 (CHEMBL3342693) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR | |||||||||||
More data for this Ligand-Target Pair |