Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50039851 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 |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385150
(CHEMBL2035650)Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)13-25-10-8-16(9-11-25)24-18(26)15-6-7-17(23-12-15)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HPGDS |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385142
(CHEMBL2035651)Show InChI InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385144
(CHEMBL2035653)Show SMILES Cc1cc2ccccc2c(n1)-c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 8.26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385143
(CHEMBL2035652)Show InChI InChI=1S/C18H21N3O2/c22-18(20-9-10-21-11-13-23-14-12-21)16-6-4-15(5-7-16)17-3-1-2-8-19-17/h1-8H,9-14H2,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 274 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385149
(CHEMBL2035649)Show SMILES O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1 Show InChI InChI=1S/C26H28N6O4/c33-24(20-18-27-25(28-19-20)36-23-4-2-1-3-5-23)29-21-6-8-22(9-7-21)30-10-12-31(13-11-30)26(34)32-14-16-35-17-15-32/h1-9,18-19H,10-17H2,(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HPGDS |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385145
(CHEMBL2035654)Show InChI InChI=1S/C23H24N2O3/c26-21-10-9-17-3-1-2-4-20(17)22(21)18-5-7-19(8-6-18)23(27)24-11-12-25-13-15-28-16-14-25/h1-10,26H,11-16H2,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 662 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385147
(CHEMBL2035656)Show SMILES NCc1ccc2ccccc2c1-c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 845 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385146
(CHEMBL2035655)Show SMILES OCc1ccc2ccccc2c1-c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C24H26N2O3/c27-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)25-11-12-26-13-15-29-16-14-26/h1-10,27H,11-17H2,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385148
(CHEMBL2035648)Show InChI InChI=1S/C16H19N3O2/c1-21-15-7-3-2-6-14(15)18-9-11-19(12-10-18)16(20)13-5-4-8-17-13/h2-8,17H,9-12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HPGDS |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | |