Found 5 hits for monomerid = 50084153 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 |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084153
(CHEMBL3425948)Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084153
(CHEMBL3425948)Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition fluorescein-conjugated ligand binding to human HPGDS expressed in Escherichia coli by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084153
(CHEMBL3425948)Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084153
(CHEMBL3425948)Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition HPGDS in human MEG01 cells assessed as reduction in PGD2 production incubated for 30 mins followed by stimulation with 5 uM ionomycin for ... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084153
(CHEMBL3425948)Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |