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SMILES: CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C

InChI Key: InChIKey=PUGMRQMXTZPAIZ-RHSMWYFYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50300101   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r|
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

MMDB
PDB
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r|
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r|
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
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/an/a 66n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r|
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair