Found 75 hits with Last Name = 'pawar' and Initial = 'my' 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)) | BDBM50028856
(CHEMBL3342696 | US9216968, 113 | US9732066, 113)Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35) | 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 | 0.100 | 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)Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35) | 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 | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028856
(CHEMBL3342696 | US9216968, 113 | US9732066, 113)Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35) | 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 | 1.20 | 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)) | BDBM50028853
(CHEMBL3342695)Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc(OCC(F)F)c(c1)C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C28H27BrClF2N3O4/c1-28(2,3)27(38)33-14-16-4-10-22(30)20(12-16)25(36)35-19-9-11-23(39-15-24(31)32)21(13-19)26(37)34-18-7-5-17(29)6-8-18/h4-13,24H,14-15H2,1-3H3,(H,33,38)(H,34,37)(H,35,36) | 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 | 2 | 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 using PGH2 as substrate incubated for 25 mins prior to substrate addition measured after 1 min by HTRF method |
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)) | BDBM50028784
(CHEMBL3342692)Show SMILES Cn1c(Nc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc12 Show InChI InChI=1S/C29H29BrClF2N5O3/c1-29(2,3)27(40)34-14-16-5-10-20(31)21(11-16)36-28-37-22-12-19(26(39)35-18-8-6-17(30)7-9-18)24(41-15-25(32)33)13-23(22)38(28)4/h5-13,25H,14-15H2,1-4H3,(H,34,40)(H,35,39)(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | 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)) | BDBM50028860
(CHEMBL3342699)Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccnc2c(Nc3ccc(cc3)C(F)(F)F)nsc12 Show InChI InChI=1S/C26H23ClF3N5O2S/c1-25(2,3)24(37)32-13-14-4-9-18(27)17(12-14)23(36)34-19-10-11-31-20-21(19)38-35-22(20)33-16-7-5-15(6-8-16)26(28,29)30/h4-12H,13H2,1-3H3,(H,32,37)(H,33,35)(H,31,34,36) | 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 | 3 | 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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397056
(CHEMBL2171440)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)C1CC1C(N)=O Show InChI InChI=1S/C23H27N5O3/c1-12-19-20(23(30)28(27-12)14-6-4-3-5-7-14)26-22(25-19)15-9-8-13(10-18(15)31-2)16-11-17(16)21(24)29/h8-10,14,16-17H,3-7,11H2,1-2H3,(H2,24,29)(H,25,26) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50099407
(CHEMBL3342851)Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20F5N5O2/c1-12(2)23(36)33-10-13-7-16(20(21(26)27)32-9-13)22-34-19-8-18(31-11-17(19)24(37)35-22)14-3-5-15(6-4-14)25(28,29)30/h3-9,11-12,21H,10H2,1-2H3,(H,33,36)(H,34,35,37) | 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 | 4 | 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)) | BDBM50099410
(CHEMBL3342849)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-8-19(26)17(9-14)22-32-21-10-20(30-12-18(21)24(35)33-22)15-4-6-16(7-5-15)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35) | 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 | 5 | 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)) | BDBM50099410
(CHEMBL3342849)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-8-19(26)17(9-14)22-32-21-10-20(30-12-18(21)24(35)33-22)15-4-6-16(7-5-15)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng... |
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)) | BDBM50028861
(CHEMBL3342700)Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2cnn(-c3ccc(cc3)C(F)(F)F)c(=O)c2c1 Show InChI InChI=1S/C28H24ClF3N4O3/c1-27(2,3)26(39)33-14-16-4-11-23(29)22(12-16)24(37)35-19-8-5-17-15-34-36(25(38)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13,15H,14H2,1-3H3,(H,33,39)(H,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50099411
(CHEMBL3342848)Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37) | 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 | 6 | 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)) | BDBM50028871
(CHEMBL3342712)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H21ClF3N3O2/c1-14(2)24(34)31-13-15-3-10-21(27)20(11-15)23-32-22-12-17(6-9-19(22)25(35)33-23)16-4-7-18(8-5-16)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,31,34)(H,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | 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)) | BDBM50099408
(CHEMBL3356955)Show SMILES NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H16N2O5S2/c22-29(25,26)19-8-4-5-9-20(19)30(27,28)23-21(24)18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-9,12-15H,(H,23,24)(H2,22,25,26) | 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 | 10 | 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)) | BDBM50028871
(CHEMBL3342712)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H21ClF3N3O2/c1-14(2)24(34)31-13-15-3-10-21(27)20(11-15)23-32-22-12-17(6-9-19(22)25(35)33-23)16-4-7-18(8-5-16)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,31,34)(H,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | 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)) | BDBM50099409
(CHEMBL3342850)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | 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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 7B
(Homo sapiens (Human)) | BDBM50397053
(CHEMBL2171422)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1 Show InChI InChI=1S/C24H32N6O2/c1-15-21-22(24(31)30(28-15)17-6-4-3-5-7-17)27-23(26-21)19-9-8-18(14-20(19)32-2)29-12-10-16(25)11-13-29/h8-9,14,16-17H,3-7,10-13,25H2,1-2H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50099409
(CHEMBL3342850)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | 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)Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35) | 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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397052
(CHEMBL2171423)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCNCC1 Show InChI InChI=1S/C24H32N6O2/c1-16-21-22(24(31)30(28-16)17-7-4-3-5-8-17)27-23(26-21)19-10-9-18(15-20(19)32-2)29-13-6-11-25-12-14-29/h9-10,15,17,25H,3-8,11-14H2,1-2H3,(H,26,27) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028854
(CHEMBL3342693)Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35) | 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)) | BDBM50099412
(CHEMBL3342847)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35) | 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 | 16 | 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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397061
(CHEMBL2171435)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCNC(=O)C1 Show InChI InChI=1S/C23H28N6O3/c1-14-20-21(23(31)29(27-14)15-6-4-3-5-7-15)26-22(25-20)17-9-8-16(12-18(17)32-2)28-11-10-24-19(30)13-28/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,24,30)(H,25,26) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 7B
(Homo sapiens (Human)) | BDBM50397052
(CHEMBL2171423)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCNCC1 Show InChI InChI=1S/C24H32N6O2/c1-16-21-22(24(31)30(28-16)17-7-4-3-5-8-17)27-23(26-21)19-10-9-18(15-20(19)32-2)29-13-6-11-25-12-14-29/h9-10,15,17,25H,3-8,11-14H2,1-2H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50099412
(CHEMBL3342847)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng... |
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)) | BDBM50028879
(CHEMBL3342719)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CCC(CC1)C(F)F Show InChI InChI=1S/C25H26Cl2F2N4O2/c1-13(2)24(34)30-12-14-3-4-18(26)16(9-14)23-31-20-11-19(27)21(10-17(20)25(35)32-23)33-7-5-15(6-8-33)22(28)29/h3-4,9-11,13,15,22H,5-8,12H2,1-2H3,(H,30,34)(H,31,32,35) | 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 | 24 | 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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397060
(CHEMBL2171436)Show SMILES CNC(=O)Nc1ccc(-c2nc3c(C)nn(C4CCCCC4)c(=O)c3[nH]2)c(OC)c1 Show InChI InChI=1S/C21H26N6O3/c1-12-17-18(20(28)27(26-12)14-7-5-4-6-8-14)25-19(24-17)15-10-9-13(11-16(15)30-3)23-21(29)22-2/h9-11,14H,4-8H2,1-3H3,(H,24,25)(H2,22,23,29) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028864
(CHEMBL3342705)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)C(F)(F)F Show InChI InChI=1S/C20H17ClF3N3O2/c1-10(2)18(28)25-9-11-3-6-15(21)14(7-11)17-26-16-8-12(20(22,23)24)4-5-13(16)19(29)27-17/h3-8,10H,9H2,1-2H3,(H,25,28)(H,26,27,29) | 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 | 26 | 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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397053
(CHEMBL2171422)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1 Show InChI InChI=1S/C24H32N6O2/c1-15-21-22(24(31)30(28-15)17-6-4-3-5-7-17)27-23(26-21)19-9-8-18(14-20(19)32-2)29-12-10-16(25)11-13-29/h8-9,14,16-17H,3-7,10-13,25H2,1-2H3,(H,26,27) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397054
(CHEMBL2171421)Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(19(25)24(23-11)13-6-4-3-5-7-13)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397062
(CHEMBL2171434)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCN(CC1)C(C)=O Show InChI InChI=1S/C26H34N6O3/c1-17-23-24(26(34)32(29-17)19-8-5-4-6-9-19)28-25(27-23)21-11-10-20(16-22(21)35-3)31-13-7-12-30(14-15-31)18(2)33/h10-11,16,19H,4-9,12-15H2,1-3H3,(H,27,28) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028875
(CHEMBL3342716)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)C1CC1 Show InChI InChI=1S/C22H21Cl2N3O2/c1-11(2)21(28)25-10-12-3-6-17(23)15(7-12)20-26-19-9-18(24)14(13-4-5-13)8-16(19)22(29)27-20/h3,6-9,11,13H,4-5,10H2,1-2H3,(H,25,28)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human mPGES-1 using PGH2 as substrate by RP-HPLC analysis |
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)) | BDBM50099411
(CHEMBL3342848)Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng... |
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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397063
(CHEMBL2171433)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCC(O)CC1 Show InChI InChI=1S/C25H33N5O3/c1-16-22-23(25(32)30(28-16)17-7-4-3-5-8-17)27-24(26-22)20-11-10-18(15-21(20)33-2)29-13-6-9-19(31)12-14-29/h10-11,15,17,19,31H,3-9,12-14H2,1-2H3,(H,26,27) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028863
(CHEMBL3342704)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Br)ccc2c(=O)[nH]1 Show InChI InChI=1S/C19H17BrClN3O2/c1-10(2)18(25)22-9-11-3-6-15(21)14(7-11)17-23-16-8-12(20)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26) | 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 | 36 | 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)) | BDBM50028874
(CHEMBL3342715)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H20Cl2F3N3O2/c1-13(2)24(35)32-12-14-3-8-20(27)18(9-14)23-33-22-11-21(28)17(10-19(22)25(36)34-23)15-4-6-16(7-5-15)26(29,30)31/h3-11,13H,12H2,1-2H3,(H,32,35)(H,33,34,36) | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 in human whole blood assessed as inhibition of LPS-induced PGE2 production incubated for 30 mins prior to LPS challenge measure... |
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)) | BDBM50028862
(CHEMBL3342703)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)ccc2c(=O)[nH]1 Show InChI InChI=1S/C19H17Cl2N3O2/c1-10(2)18(25)22-9-11-3-6-15(21)14(7-11)17-23-16-8-12(20)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26) | 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 | 42 | 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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 7B
(Homo sapiens (Human)) | BDBM50397054
(CHEMBL2171421)Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(19(25)24(23-11)13-6-4-3-5-7-13)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397067
(CHEMBL2171429)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C22H24N6O2/c1-13-19-20(22(29)28(27-13)16-6-4-3-5-7-16)26-21(25-19)17-9-8-14(10-18(17)30-2)15-11-23-24-12-15/h8-12,16H,3-7H2,1-2H3,(H,23,24)(H,25,26) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028855
(CHEMBL3342694)Show SMILES FC(F)(F)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nc1 Show InChI InChI=1S/C21H13F6N3O2/c22-20(23,24)13-8-9-17(28-11-13)30-18(31)12-4-3-5-14(10-12)29-19(32)15-6-1-2-7-16(15)21(25,26)27/h1-11H,(H,29,32)(H,28,30,31) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human mPGES-1 using PGH2 as substrate by RP-HPLC analysis |
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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397066
(CHEMBL2171430)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC(O)C1 Show InChI InChI=1S/C22H27N5O3/c1-13-19-20(22(29)27(25-13)14-6-4-3-5-7-14)24-21(23-19)17-9-8-15(10-18(17)30-2)26-11-16(28)12-26/h8-10,14,16,28H,3-7,11-12H2,1-2H3,(H,23,24) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397068
(CHEMBL2171428)Show SMILES COc1cc(O[C@@H]2CCNC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 |r| Show InChI InChI=1S/C23H29N5O3/c1-14-20-21(23(29)28(27-14)15-6-4-3-5-7-15)26-22(25-20)18-9-8-16(12-19(18)30-2)31-17-10-11-24-13-17/h8-9,12,15,17,24H,3-7,10-11,13H2,1-2H3,(H,25,26)/t17-/m1/s1 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50028873
(CHEMBL3342714)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2ccc(cc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H21ClF3N3O2/c1-14(2)24(34)31-13-15-3-9-21(27)19(11-15)23-32-22-10-6-17(12-20(22)25(35)33-23)16-4-7-18(8-5-16)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,31,34)(H,32,33,35) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng... |
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)) | BDBM50028865
(CHEMBL3342706)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)C1CC1 Show InChI InChI=1S/C22H22ClN3O2/c1-12(2)21(27)24-11-13-3-8-18(23)17(9-13)20-25-19-10-15(14-4-5-14)6-7-16(19)22(28)26-20/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,24,27)(H,25,26,28) | 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 | 58 | 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)) | BDBM50099413
(CHEMBL3342846)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CC(C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C27H31Cl2N5O3/c1-14(2)24(35)30-11-15-6-7-19(28)17(8-15)23-31-21-10-20(29)22(9-18(21)26(37)32-23)34-12-16(13-34)25(36)33-27(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,30,35)(H,33,36)(H,31,32,37) | 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 | 59 | 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)) | BDBM50028869
(CHEMBL3342707)Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)[N+]([O-])=O Show InChI InChI=1S/C19H17ClN4O4/c1-10(2)18(25)21-9-11-3-6-15(20)14(7-11)17-22-16-8-12(24(27)28)4-5-13(16)19(26)23-17/h3-8,10H,9H2,1-2H3,(H,21,25)(H,22,23,26) | 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 | 63 | 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 | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Mus musculus) | BDBM50397054
(CHEMBL2171421)Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(19(25)24(23-11)13-6-4-3-5-7-13)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of mouse PDE7A assessed as [3H]cAMP hydrolysis after 5 to 15 mins by scintillation counter |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397059
(CHEMBL2171437)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C21H22N6O4/c1-11-16-17(20(28)27(26-11)13-6-4-3-5-7-13)23-18(22-16)14-9-8-12(10-15(14)30-2)19-24-25-21(29)31-19/h8-10,13H,3-7H2,1-2H3,(H,22,23)(H,25,29) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397065
(CHEMBL2171431)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCC(O)C1 Show InChI InChI=1S/C23H29N5O3/c1-14-20-21(23(30)28(26-14)15-6-4-3-5-7-15)25-22(24-20)18-9-8-16(12-19(18)31-2)27-11-10-17(29)13-27/h8-9,12,15,17,29H,3-7,10-11,13H2,1-2H3,(H,24,25) | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50397069
(CHEMBL2171427)Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC(N)C1 Show InChI InChI=1S/C22H28N6O2/c1-13-19-20(22(29)28(26-13)15-6-4-3-5-7-15)25-21(24-19)17-9-8-16(10-18(17)30-2)27-11-14(23)12-27/h8-10,14-15H,3-7,11-12,23H2,1-2H3,(H,24,25) | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay |
Bioorg Med Chem Lett 22: 6286-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB |
More data for this
Ligand-Target Pair | |
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