Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50040715 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 |
|---|
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
AffyNet 
| Purchase
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)) | 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 | |
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
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 | |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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)) | 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 | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50398799
(CHEMBL2180070)Show SMILES C[C@@H](N1CC(C1)c1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C19H23N7O/c1-12(25-10-13(11-25)17-20-7-4-8-21-17)16-23-18-15(19(27)24-16)9-22-26(18)14-5-2-3-6-14/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H,23,24,27)/t12-/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 | 32 | 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)) | BDBM50398803
(CHEMBL2180065)Show SMILES CC(N1CC(C1)Oc1ccc(C#N)c(F)c1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C22H23FN6O3/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 | 43 | 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)) | 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 | 45 | 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)) | BDBM50398801
(CHEMBL2180067)Show SMILES CC(N1CC(C1)Oc1ccc(F)c(c1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C22H23FN6O3/c1-13(28-11-17(12-28)32-16-2-3-19(23)14(8-16)9-24)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 | 47 | 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)) | 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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | 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)) | BDBM50398806
(CHEMBL2180075)Show SMILES CC(N1CC(C1)Oc1cc(F)ccc1F)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C21H23F2N5O3/c1-12(27-10-15(11-27)31-18-8-13(22)2-3-17(18)23)19-25-20-16(21(29)26-19)9-24-28(20)14-4-6-30-7-5-14/h2-3,8-9,12,14-15H,4-7,10-11H2,1H3,(H,25,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | 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)) | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
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)) | BDBM50398805
(CHEMBL2177496)Show SMILES CC(N1CC(C1)Oc1ccc(F)c(Cl)c1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C21H23ClFN5O3/c1-12(27-10-15(11-27)31-14-2-3-18(23)17(22)8-14)19-25-20-16(21(29)26-19)9-24-28(20)13-4-6-30-7-5-13/h2-3,8-9,12-13,15H,4-7,10-11H2,1H3,(H,25,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | 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)) | 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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | 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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE1C |
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)) | BDBM50398791
(CHEMBL2177504)Show SMILES COc1ccccc1OC1CCN(C1)[C@H](C)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C23H29N5O3/c1-15(27-12-11-17(14-27)31-20-10-6-5-9-19(20)30-2)21-25-22-18(23(29)26-21)13-24-28(22)16-7-3-4-8-16/h5-6,9-10,13,15-17H,3-4,7-8,11-12,14H2,1-2H3,(H,25,26,29)/t15-,17?/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 | 148 | 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)) | BDBM50398792
(CHEMBL2177503)Show SMILES C[C@@H](N1CCC(C1)c1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C22H27N5O/c1-15(26-12-11-17(14-26)16-7-3-2-4-8-16)20-24-21-19(22(28)25-20)13-23-27(21)18-9-5-6-10-18/h2-4,7-8,13,15,17-18H,5-6,9-12,14H2,1H3,(H,24,25,28)/t15-,17?/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 | 230 | 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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE1C |
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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 526 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE1C |
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)) | BDBM50398795
(CHEMBL2177500)Show SMILES C[C@@H](N1CCC1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C15H21N5O/c1-10(19-7-4-8-19)13-17-14-12(15(21)18-13)9-16-20(14)11-5-2-3-6-11/h9-11H,2-8H2,1H3,(H,17,18,21)/t10-/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 | 593 | 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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(Homo sapiens (Human)) | BDBM50398799
(CHEMBL2180070)Show SMILES C[C@@H](N1CC(C1)c1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C19H23N7O/c1-12(25-10-13(11-25)17-20-7-4-8-21-17)16-23-18-15(19(27)24-16)9-22-26(18)14-5-2-3-6-14/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE1C |
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)) | BDBM50398798
(CHEMBL2180064)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-/m0/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 | 986 | 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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE1C |
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)) | BDBM50398797
(CHEMBL2177498)Show SMILES C[C@@H](N1CCCCC1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C17H25N5O/c1-12(21-9-5-2-6-10-21)15-19-16-14(17(23)20-15)11-18-22(16)13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,19,20,23)/t12-/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 | >1.00E+3 | 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)) | BDBM50398796
(CHEMBL2177499)Show SMILES C[C@@H](N1CCC(F)C1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C16H22FN5O/c1-10(21-7-6-11(17)9-21)14-19-15-13(16(23)20-14)8-18-22(15)12-4-2-3-5-12/h8,10-12H,2-7,9H2,1H3,(H,19,20,23)/t10-,11?/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 | >1.00E+3 | 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)) | BDBM50398794
(CHEMBL2177501)Show SMILES C[C@@H](N1CCc2c(Cl)cccc2C1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C21H24ClN5O/c1-13(26-10-9-16-14(12-26)5-4-8-18(16)22)19-24-20-17(21(28)25-19)11-23-27(20)15-6-2-3-7-15/h4-5,8,11,13,15H,2-3,6-7,9-10,12H2,1H3,(H,24,25,28)/t13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | 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)) | BDBM50398793
(CHEMBL2177502)Show SMILES C[C@@H](N1CCCC(C1)c1cccc(C)c1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C24H31N5O/c1-16-7-5-8-18(13-16)19-9-6-12-28(15-19)17(2)22-26-23-21(24(30)27-22)14-25-29(23)20-10-3-4-11-20/h5,7-8,13-14,17,19-20H,3-4,6,9-12,15H2,1-2H3,(H,26,27,30)/t17-,19?/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | 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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE1C |
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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50398799
(CHEMBL2180070)Show SMILES C[C@@H](N1CC(C1)c1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C19H23N7O/c1-12(25-10-13(11-25)17-20-7-4-8-21-17)16-23-18-15(19(27)24-16)9-22-26(18)14-5-2-3-6-14/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
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 | |
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