Found 110 hits with Last Name = 'kleiman' and Initial = 'rj' 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 |
|---|
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Rattus norvegicus) | BDBM107767
(US11419874, PF-05180999 | US8598155, 2)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PD... |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50398789
(CHEMBL2180073)Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H25N5O3/c1-14(25-12-17(13-25)29-16-5-3-2-4-6-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-9-28-10-8-15/h2-6,11,14-15,17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DAT |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50398807
(CHEMBL2180074)Show SMILES CC(N1CC(C1)Oc1ccc(F)cc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C21H24FN5O3/c1-13(26-11-17(12-26)30-16-4-2-14(22)3-5-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-8-29-9-7-15/h2-5,10,13,15,17H,6-9,11-12H2,1H3,(H,24,25,28) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DAT |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50398804
(CHEMBL2177497)Show SMILES CC(N1CC(C1)Oc1ccc(cc1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C22H24N6O3/c1-14(27-12-18(13-27)31-17-4-2-15(10-23)3-5-17)20-25-21-19(22(29)26-20)11-24-28(21)16-6-8-30-9-7-16/h2-5,11,14,16,18H,6-9,12-13H2,1H3,(H,25,26,29) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DAT |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50398800
(CHEMBL2180069)Show SMILES C[C@@H](N1CC(C1)Oc1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-19-20-5-2-6-21-19)16-23-17-15(18(27)24-16)9-22-26(17)13-3-7-28-8-4-13/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DAT |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50088373
(CHEBI:46295 | Vardenafil | cid_110634)Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE5A1 (unknwon origin) using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM107776
(US8598155, 13)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C20H18F3N7/c1-12-27-16(18-19(29-8-3-9-29)24-11-26-30(12)18)15-10-25-28(2)17(15)13-4-6-14(7-5-13)20(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(Homo sapiens (Human)) | BDBM50300099
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50166893
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50300099
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397844
(CHEMBL2179099)Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-2-4-16(23)5-3-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-6-8-30-9-7-17/h2-5,10,14,17,19H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1 | PDB
MMDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397850
(CHEMBL2179093)Show InChI InChI=1S/C17H18N4O2/c22-17-14-11-18-21(13-6-8-23-9-7-13)16(14)19-15(20-17)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,19,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397845
(CHEMBL2177125)Show SMILES C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-3-2-4-16(23)9-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h2-4,9-10,14,17,19H,5-8,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50247533
(CHEMBL4080109)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C17H14F3N7/c1-9-25-13(15-16(21)22-8-24-27(9)15)12-7-23-26(2)14(12)10-3-5-11(6-4-10)17(18,19)20/h3-8H,1-2H3,(H2,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM9049
(US11419874, Example 15 | US8829010, 35 | US8829010...)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM107767
(US11419874, PF-05180999 | US8598155, 2)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM9049
(US11419874, Example 15 | US8829010, 35 | US8829010...)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397848
(CHEMBL2179096)Show SMILES CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C23H29N5O2/c1-2-17-14-27(13-16-6-4-3-5-7-16)15-20(17)21-25-22-19(23(29)26-21)12-24-28(22)18-8-10-30-11-9-18/h3-7,12,17-18,20H,2,8-11,13-15H2,1H3,(H,25,26,29)/t17-,20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130958
(US8829010, 9)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12 Show InChI InChI=1S/C21H23N7/c1-4-14-6-8-15(9-7-14)19-16(12-24-26(19)2)18-17-20(27(3)25-18)22-13-23-21(17)28-10-5-11-28/h6-9,12-13H,4-5,10-11H2,1-3H3 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130982
(US8829010, 33)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C1CC1 Show InChI InChI=1S/C22H23N7/c1-27-20(16-8-6-15(7-9-16)14-4-5-14)17(12-25-27)19-18-21(28(2)26-19)23-13-24-22(18)29-10-3-11-29/h6-9,12-14H,3-5,10-11H2,1-2H3 | PDB
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397843
(CHEMBL2179100)Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H29N5O3/c1-15-12-27(13-16-3-5-18(30-2)6-4-16)14-20(15)21-25-22-19(23(29)26-21)11-24-28(22)17-7-9-31-10-8-17/h3-6,11,15,17,20H,7-10,12-14H2,1-2H3,(H,25,26,29)/t15-,20-/m1/s1 | PDB
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130966
(US8829010, 17)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC(C3)NC(=O)OC)c12 Show InChI InChI=1S/C23H26N8O2/c1-5-14-6-8-15(9-7-14)20-17(10-26-29(20)2)19-18-21(30(3)28-19)24-13-25-22(18)31-11-16(12-31)27-23(32)33-4/h6-10,13,16H,5,11-12H2,1-4H3,(H,27,32) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
The inhibition activity of 5-HT1A at 1 uM |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397841
(CHEMBL2179102)Show SMILES C[C@@H]1CN(Cc2ccc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-16-4-3-15(2)23-9-16)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h3-4,9-10,14,17,19H,5-8,11-13H2,1-2H3,(H,25,26,29)/t14-,19-/m1/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397839
(CHEMBL2179104)Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H27N7O2/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-3-5-30-6-4-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1 | PDB
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397846
(CHEMBL2179098)Show SMILES C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-4-2-3-5-19(15)23)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-6-8-30-9-7-16/h2-5,10,14,16,18H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,18-/m1/s1 | PDB
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50166893
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | PDB
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| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE2A (unknown origin) |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130956
(US8829010, 7)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@H](C3)N(C)C)c12 |r| Show InChI InChI=1S/C24H30N8/c1-6-16-7-9-17(10-8-16)22-19(13-27-30(22)4)21-20-23(31(5)28-21)25-15-26-24(20)32-12-11-18(14-32)29(2)3/h7-10,13,15,18H,6,11-12,14H2,1-5H3/t18-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397851
(CHEMBL2179094)Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C22H27N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-7-9-29-10-8-17/h2-6,11,15,17,19H,7-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130989
(US8829010, 40)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC(C3)OC)c12 Show InChI InChI=1S/C22H25N7O/c1-5-14-6-8-15(9-7-14)20-17(10-25-27(20)2)19-18-21(28(3)26-19)23-13-24-22(18)29-11-16(12-29)30-4/h6-10,13,16H,5,11-12H2,1-4H3 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397842
(CHEMBL2179101)Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-4-2-3-7-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-5-8-29-9-6-16/h2-4,7,10,14,16,18H,5-6,8-9,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1 | PDB
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50398800
(CHEMBL2180069)Show SMILES C[C@@H](N1CC(C1)Oc1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-19-20-5-2-6-21-19)16-23-17-15(18(27)24-16)9-22-26(17)13-3-7-28-8-4-13/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE9A using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50239842
(CHEMBL4085594)Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(CC)cc3)n12 Show InChI InChI=1S/C20H22N6O/c1-4-10-27-18-13-21-12-17-23-24-20(26(17)18)16-11-22-25(3)19(16)15-8-6-14(5-2)7-9-15/h6-9,11-13H,4-5,10H2,1-3H3 | PDB
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| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50239841
(CHEMBL4101083)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCCC3)c12 Show InChI InChI=1S/C22H25N7/c1-4-15-7-9-16(10-8-15)20-17(13-25-27(20)2)19-18-21(28(3)26-19)23-14-24-22(18)29-11-5-6-12-29/h7-10,13-14H,4-6,11-12H2,1-3H3 | PDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM107770
(US8598155, 5)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cn2)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C18H17ClN8/c1-11-24-15(17-18(26-6-3-7-26)21-10-23-27(11)17)13-9-22-25(2)16(13)14-5-4-12(19)8-20-14/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
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| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397838
(CHEMBL2179105 | PF-04447943 | US10513524, Referenc...)Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1 | PDB
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| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130953
(US8829010, 4)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N8/c1-28-16(13-5-4-11(8-23-13)19(20,21)22)12(9-26-28)15-14-17(29(2)27-15)24-10-25-18(14)30-6-3-7-30/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130986
(US8829010, 37)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cn1)C1CC1 Show InChI InChI=1S/C21H22N8/c1-27-19(16-7-6-14(10-22-16)13-4-5-13)15(11-25-27)18-17-20(28(2)26-18)23-12-24-21(17)29-8-3-9-29/h6-7,10-13H,3-5,8-9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50247536
(CHEMBL3769434)Show SMILES CCCc1nn(C)c2c1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE5A1 (unknwon origin) using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130953
(US8829010, 4)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N8/c1-28-16(13-5-4-11(8-23-13)19(20,21)22)12(9-26-28)15-14-17(29(2)27-15)24-10-25-18(14)30-6-3-7-30/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50239845
(CHEMBL4083369)Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)n12 Show InChI InChI=1S/C19H17F3N6O/c1-3-8-29-16-11-23-10-15-25-26-18(28(15)16)14-9-24-27(2)17(14)12-4-6-13(7-5-12)19(20,21)22/h4-7,9-11H,3,8H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50247534
(CHEMBL4081035)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C16H13F3N8/c1-8-25-12(14-15(20)22-7-24-27(8)14)10-6-23-26(2)13(10)11-4-3-9(5-21-11)16(17,18)19/h3-7H,1-2H3,(H2,20,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50398790
(CHEMBL2180072)Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C21H25N5O2/c1-14(25-12-17(13-25)28-16-9-3-2-4-10-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-5-6-8-15/h2-4,9-11,14-15,17H,5-8,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1 | PDB
MMDB
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE9A using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50397840
(CHEMBL2179103)Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H27N7O2/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-3-5-30-6-4-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1 | PDB
MMDB
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50247537
(CHEMBL4086493)Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CC(O)C4)c23)c1-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N8O/c1-28-16(13-4-3-10(5-23-13)19(20,21)22)12(6-26-28)15-14-17(29(2)27-15)24-9-25-18(14)30-7-11(31)8-30/h3-6,9,11,31H,7-8H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(Homo sapiens (Human)) | BDBM50397850
(CHEMBL2179093)Show InChI InChI=1S/C17H18N4O2/c22-17-14-11-18-21(13-6-8-23-9-7-13)16(14)19-15(20-17)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,19,20,22) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9045-54 (2012)
Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130951
(US8829010, 1)Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12 Show InChI InChI=1S/C20H21N7/c1-13-5-7-14(8-6-13)18-15(11-23-25(18)2)17-16-19(26(3)24-17)21-12-22-20(16)27-9-4-10-27/h5-8,11-12H,4,9-10H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50398802
(CHEMBL2180066)Show SMILES CC(N1CC(C1)Oc1ccc(C#N)c(Cl)c1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C22H23ClN6O3/c1-13(28-11-17(12-28)32-16-3-2-14(9-24)19(23)8-16)20-26-21-18(22(30)27-20)10-25-29(21)15-4-6-31-7-5-15/h2-3,8,10,13,15,17H,4-7,11-12H2,1H3,(H,26,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE9A using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50398789
(CHEMBL2180073)Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H25N5O3/c1-14(25-12-17(13-25)29-16-5-3-2-4-6-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-9-28-10-8-15/h2-6,11,14-15,17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE9A using [3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 55: 9055-68 (2012)
Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50239847
(CHEMBL4080861)Show SMILES COc1ccccc1CCOc1cncc2nnc(-c3c[nH]nc3-c3ccc(cc3)C(F)(F)F)n12 Show InChI InChI=1S/C24H19F3N6O2/c1-34-19-5-3-2-4-15(19)10-11-35-21-14-28-13-20-30-32-23(33(20)21)18-12-29-31-22(18)16-6-8-17(9-7-16)24(25,26)27/h2-9,12-14H,10-11H2,1H3,(H,29,31) | PDB
UniProtKB/SwissProt
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50239846
(CHEMBL4070209)Show InChI InChI=1S/C19H20N6O/c1-4-9-26-17-12-20-11-16-22-23-19(25(16)17)15-10-21-24(3)18(15)14-7-5-13(2)6-8-14/h5-8,10-12H,4,9H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain. |
J Med Chem 60: 5673-5698 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT |
More data for this
Ligand-Target Pair | |
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