Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50002624 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 D2 receptor
(Homo sapiens (Human)) | BDBM50460673
(CHEMBL4229054)Show SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 674 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50460670
(CHEMBL4228792)Show SMILES C[C@H](c1ccc(Cl)cc1)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 873 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50460667
(CHEMBL4226404)Show SMILES CS(=O)(=O)c1cc(F)cc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C21H17F4NO4S2/c1-32(29,30)16-10-13(22)9-15-18(16)20(19-11(8-17(27)28)6-7-26(15)19)31-14-4-2-12(3-5-14)21(23,24)25/h2-5,9-11H,6-8H2,1H3,(H,27,28)/t11-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460671
(CHEMBL4228478)Show SMILES CS(=O)(=O)c1cc(F)cc2n3CCC[C@@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C22H19F4NO4S2/c1-33(30,31)17-11-14(23)10-16-19(17)21(20-12(9-18(28)29)3-2-8-27(16)20)32-15-6-4-13(5-7-15)22(24,25)26/h4-7,10-12H,2-3,8-9H2,1H3,(H,28,29)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460673
(CHEMBL4229054)Show SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50460672
(CHEMBL4227417)Show SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50460678
(CHEMBL4227971)Show SMILES C[C@@H](c1ccc(Cl)cc1)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460679
(CHEMBL4224708)Show SMILES CS(=O)(=O)c1cc(F)cc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C21H17F4NO4S2/c1-32(29,30)16-10-13(22)9-15-18(16)20(19-11(8-17(27)28)6-7-26(15)19)31-14-4-2-12(3-5-14)21(23,24)25/h2-5,9-11H,6-8H2,1H3,(H,27,28)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460670
(CHEMBL4228792)Show SMILES C[C@H](c1ccc(Cl)cc1)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460667
(CHEMBL4226404)Show SMILES CS(=O)(=O)c1cc(F)cc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C21H17F4NO4S2/c1-32(29,30)16-10-13(22)9-15-18(16)20(19-11(8-17(27)28)6-7-26(15)19)31-14-4-2-12(3-5-14)21(23,24)25/h2-5,9-11H,6-8H2,1H3,(H,27,28)/t11-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50460679
(CHEMBL4224708)Show SMILES CS(=O)(=O)c1cc(F)cc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C21H17F4NO4S2/c1-32(29,30)16-10-13(22)9-15-18(16)20(19-11(8-17(27)28)6-7-26(15)19)31-14-4-2-12(3-5-14)21(23,24)25/h2-5,9-11H,6-8H2,1H3,(H,27,28)/t11-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460676
(CHEMBL4225707)Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(cc3)C(F)(F)F)c12 Show InChI InChI=1S/C23H21F4NO4S/c1-33(31,32)19-11-16(24)10-18-17-4-2-3-14(9-20(29)30)21(17)28(22(18)19)12-13-5-7-15(8-6-13)23(25,26)27/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460682
(CHEMBL4225177)Show SMILES CC(C)c1ccc(Cn2c3C(CC(O)=O)CCCc3c3cc(F)cc(c23)S(C)(=O)=O)cc1 Show InChI InChI=1S/C25H28FNO4S/c1-15(2)17-9-7-16(8-10-17)14-27-24-18(11-23(28)29)5-4-6-20(24)21-12-19(26)13-22(25(21)27)32(3,30)31/h7-10,12-13,15,18H,4-6,11,14H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50460671
(CHEMBL4228478)Show SMILES CS(=O)(=O)c1cc(F)cc2n3CCC[C@@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C22H19F4NO4S2/c1-33(30,31)17-11-14(23)10-16-19(17)21(20-12(9-18(28)29)3-2-8-27(16)20)32-15-6-4-13(5-7-15)22(24,25)26/h4-7,10-12H,2-3,8-9H2,1H3,(H,28,29)/t12-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at DP1 receptor (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460675
(CHEMBL4227300)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(cc1)C(F)(F)F)c1c(cc(F)cc21)C(F)(F)F Show InChI InChI=1S/C23H18F7NO2/c24-15-9-17-16-3-1-2-13(8-19(32)33)20(16)31(21(17)18(10-15)23(28,29)30)11-12-4-6-14(7-5-12)22(25,26)27/h4-7,9-10,13H,1-3,8,11H2,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460680
(CHEMBL4225978)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(cc1)C(F)(F)F)c1c(cc(F)cc21)C#N Show InChI InChI=1S/C23H18F4N2O2/c24-17-8-15(11-28)22-19(10-17)18-3-1-2-14(9-20(30)31)21(18)29(22)12-13-4-6-16(7-5-13)23(25,26)27/h4-8,10,14H,1-3,9,12H2,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 422 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50184225
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 431 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460672
(CHEMBL4227417)Show SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460681
(CHEMBL4228100)Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(cc3)C#N)c12 Show InChI InChI=1S/C23H21FN2O4S/c1-31(29,30)20-11-17(24)10-19-18-4-2-3-16(9-21(27)28)22(18)26(23(19)20)13-15-7-5-14(12-25)6-8-15/h5-8,10-11,16H,2-4,9,13H2,1H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460678
(CHEMBL4227971)Show SMILES C[C@@H](c1ccc(Cl)cc1)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50331730
((+/-)-2-(9-(4-chlorobenzyl)-6-fluoro-8-(methylsulf...)Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H21ClFNO4S/c1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460674
(CHEMBL4225398)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 Show InChI InChI=1S/C21H18BrClFNO2/c22-18-10-15(24)9-17-16-3-1-2-13(8-19(26)27)20(16)25(21(17)18)11-12-4-6-14(23)7-5-12/h4-7,9-10,13H,1-3,8,11H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460677
(CHEMBL4225728)Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccccc3)c12 Show InChI InChI=1S/C22H22FNO4S/c1-29(27,28)19-12-16(23)11-18-17-9-5-8-15(10-20(25)26)21(17)24(22(18)19)13-14-6-3-2-4-7-14/h2-4,6-7,11-12,15H,5,8-10,13H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460668
(CHEMBL4226493)Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(N)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClFN2O3S/c1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(25)27)21(17)26(22(18)19)12-13-5-7-15(23)8-6-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H2,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50460669
(CHEMBL4228423)Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC#N)c3n(Cc3ccc(cc3)C(F)(F)F)c12 Show InChI InChI=1S/C23H20F4N2O2S/c1-32(30,31)20-12-17(24)11-19-18-4-2-3-15(9-10-28)21(18)29(22(19)20)13-14-5-7-16(8-6-14)23(25,26)27/h5-8,11-12,15H,2-4,9,13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2 (unknown origin) |
Bioorg Med Chem Lett 28: 1122-1126 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C |
More data for this
Ligand-Target Pair | |
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