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BDBM50061901 (+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-3-(phenylmethyl)cyclopetn[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(1H)-one::(+/-)Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-3-(phenylmethyl)cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(1H)-one::CHEMBL140173

SMILES: CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O

InChI Key: InChIKey=CXGWFTLCSUOWTG-KGLIPLIRSA-N

Data: 3 IC50

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 3 hits for monomerid = 50061901   
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
Phosphodiesterase


(Bos taurus)
BDBM50061901
PNG
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50061901
PNG
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from bovine lung


J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50061901
PNG
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from bovine lung


J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair