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BDBM50059023 5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'(8'H)-[3H]imidazo[2,1-b]purin]-4(5'H)-one::CHEMBL72812

SMILES: CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O

InChI Key: InChIKey=CBTGYHFNNIFZQM-UHFFFAOYSA-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 = 50059023   
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
Heart phosphodiesterase


(Bos taurus)
BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-23-17(25)15-16(21-14(20-15)11-13-7-3-2-4-8-13)24-12-19(22-18(23)24)9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-23-17(25)15-16(21-14(20-15)11-13-7-3-2-4-8-13)24-12-19(22-18(23)24)9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Banasthali University

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (unknown origin)


Bioorg Med Chem Lett 24: 3137-41 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.004
BindingDB Entry DOI: 10.7270/Q2JH3NRM
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-23-17(25)15-16(21-14(20-15)11-13-7-3-2-4-8-13)24-12-19(22-18(23)24)9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair