Found 4 hits for monomerid = 50084152 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)) | BDBM50084152
(CHEMBL3425949)Show SMILES CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-8-6-14(7-9-15)11-26-20(29)16-12-24-19(25-13-16)17-5-3-4-10-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 70 | 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 | |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084152
(CHEMBL3425949)Show SMILES CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-8-6-14(7-9-15)11-26-20(29)16-12-24-19(25-13-16)17-5-3-4-10-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 23 | 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 | |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084152
(CHEMBL3425949)Show SMILES CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-8-6-14(7-9-15)11-26-20(29)16-12-24-19(25-13-16)17-5-3-4-10-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 35 | 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 | |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50084152
(CHEMBL3425949)Show SMILES CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-8-6-14(7-9-15)11-26-20(29)16-12-24-19(25-13-16)17-5-3-4-10-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 74 | 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 | |