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BDBM50289464 3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[cyclopentane-1,7'-(4',5',7',8'-tetrahydro-3'H-imidazo[2,1-b]purine)]-4'-one::CHEMBL28676::SCH-57726

SMILES: CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O

InChI Key: InChIKey=COWBACSJPXQWNS-UHFFFAOYSA-N

Data: 5 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50289464   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heart phosphodiesterase


(Bos taurus)
BDBM50289464
PNG
(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine heart phosphodiesterase 3


Bioorg Med Chem Lett 7: 1381-1386 (1997)


Article DOI: 10.1016/S0960-894X(97)00238-2
BindingDB Entry DOI: 10.7270/Q2RX9C32
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50289464
PNG
(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine lung phosphodiesterase 5


Bioorg Med Chem Lett 7: 1381-1386 (1997)


Article DOI: 10.1016/S0960-894X(97)00238-2
BindingDB Entry DOI: 10.7270/Q2RX9C32
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50289464
PNG
(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta phosphodiesterase 1


Bioorg Med Chem Lett 7: 1381-1386 (1997)


Article DOI: 10.1016/S0960-894X(97)00238-2
BindingDB Entry DOI: 10.7270/Q2RX9C32
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50289464
PNG
(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 7: 1381-1386 (1997)


Article DOI: 10.1016/S0960-894X(97)00238-2
BindingDB Entry DOI: 10.7270/Q2RX9C32
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50289464
PNG
(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 2


Bioorg Med Chem Lett 7: 1381-1386 (1997)


Article DOI: 10.1016/S0960-894X(97)00238-2
BindingDB Entry DOI: 10.7270/Q2RX9C32
More data for this
Ligand-Target Pair