Found 5 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50194138' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50194138
(CHEMBL3928608)Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis |
Bioorg Med Chem Lett 26: 4824-4828 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50194138
(CHEMBL3928608)Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m... |
Bioorg Med Chem Lett 26: 4824-4828 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50194138
(CHEMBL3928608)Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ... |
Bioorg Med Chem Lett 26: 4824-4828 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Canis familiaris) | BDBM50194138
(CHEMBL3928608)Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of dog mPGES-1 |
Bioorg Med Chem Lett 26: 4824-4828 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Canis familiaris) | BDBM50194138
(CHEMBL3928608)Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in dog whole blood |
Bioorg Med Chem Lett 26: 4824-4828 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |