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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'gandhi' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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47n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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150n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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150n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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475n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.99E+3n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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2.45E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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2.45E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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2.64E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048261
PNG
(CHEMBL3315044)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397056
PNG
(CHEMBL2171440)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)C1CC1C(N)=O
Show InChI InChI=1S/C23H27N5O3/c1-12-19-20(23(30)28(27-12)14-6-4-3-5-7-14)26-22(25-19)15-9-8-13(10-18(15)31-2)16-11-17(16)21(24)29/h8-10,14,16-17H,3-7,11H2,1-2H3,(H2,24,29)(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50048261
PNG
(CHEMBL3315044)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
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n/an/a 4.10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048261
PNG
(CHEMBL3315044)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048262
PNG
(CHEMBL3315042)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C23H17N5O/c1-28-15-19(22-20(28)3-2-10-25-22)16-4-6-18(7-5-16)29-23-21(26-13-14-27-23)17-8-11-24-12-9-17/h2-15H,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
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n/an/a 6.70n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
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n/an/a 7.10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048263
PNG
(CHEMBL3315039)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2nc3ccccc3cc12
Show InChI InChI=1S/C27H19N5O/c1-32-17-22(26-24(32)16-20-4-2-3-5-23(20)31-26)18-6-8-21(9-7-18)33-27-25(29-14-15-30-27)19-10-12-28-13-11-19/h2-17H,1H3
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n/an/a 8.5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50397053
PNG
(CHEMBL2171422)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1
Show InChI InChI=1S/C24H32N6O2/c1-15-21-22(24(31)30(28-15)17-6-4-3-5-7-17)27-23(26-21)19-9-8-18(14-20(19)32-2)29-12-10-16(25)11-13-29/h8-9,14,16-17H,3-7,10-13,25H2,1-2H3,(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397052
PNG
(CHEMBL2171423)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCNCC1
Show InChI InChI=1S/C24H32N6O2/c1-16-21-22(24(31)30(28-16)17-7-4-3-5-8-17)27-23(26-21)19-10-9-18(15-20(19)32-2)29-13-6-11-25-12-14-29/h9-10,15,17,25H,3-8,11-14H2,1-2H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50048262
PNG
(CHEMBL3315042)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C23H17N5O/c1-28-15-19(22-20(28)3-2-10-25-22)16-4-6-18(7-5-16)29-23-21(26-13-14-27-23)17-8-11-24-12-9-17/h2-15H,1H3
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n/an/a 12n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048262
PNG
(CHEMBL3315042)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C23H17N5O/c1-28-15-19(22-20(28)3-2-10-25-22)16-4-6-18(7-5-16)29-23-21(26-13-14-27-23)17-8-11-24-12-9-17/h2-15H,1H3
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n/an/a 16n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397061
PNG
(CHEMBL2171435)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCNC(=O)C1
Show InChI InChI=1S/C23H28N6O3/c1-14-20-21(23(31)29(27-14)15-6-4-3-5-7-15)26-22(25-20)17-9-8-16(12-18(17)32-2)28-11-10-24-19(30)13-28/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,24,30)(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048272
PNG
(CHEMBL3315034)
Show SMILES Cn1cc(-c2cccc(Oc3nccc(n3)-c3cncnc3)c2)c2nc3ccccc3cc12
Show InChI InChI=1S/C26H18N6O/c1-32-15-21(25-24(32)12-18-5-2-3-8-22(18)30-25)17-6-4-7-20(11-17)33-26-29-10-9-23(31-26)19-13-27-16-28-14-19/h2-16H,1H3
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n/an/a 18n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50397052
PNG
(CHEMBL2171423)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCNCC1
Show InChI InChI=1S/C24H32N6O2/c1-16-21-22(24(31)30(28-16)17-7-4-3-5-8-17)27-23(26-21)19-10-9-18(15-20(19)32-2)29-13-6-11-25-12-14-29/h9-10,15,17,25H,3-8,11-14H2,1-2H3,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048268
PNG
(CHEMBL3315040)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3cncnc3)cc2)c2nc3ccccc3cc12
Show InChI InChI=1S/C26H18N6O/c1-32-15-21(25-23(32)12-18-4-2-3-5-22(18)31-25)17-6-8-20(9-7-17)33-26-24(29-10-11-30-26)19-13-27-16-28-14-19/h2-16H,1H3
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n/an/a 19n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048273
PNG
(CHEMBL3315031)
Show SMILES Cn1cc(-c2cccc(Oc3nccc(n3)-c3cn[nH]c3)c2)c2nc3ccccc3cc12
Show InChI InChI=1S/C25H18N6O/c1-31-15-20(24-23(31)12-17-5-2-3-8-21(17)29-24)16-6-4-7-19(11-16)32-25-26-10-9-22(30-25)18-13-27-28-14-18/h2-15H,1H3,(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50048263
PNG
(CHEMBL3315039)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2nc3ccccc3cc12
Show InChI InChI=1S/C27H19N5O/c1-32-17-22(26-24(32)16-20-4-2-3-5-23(20)31-26)18-6-8-21(9-7-18)33-27-25(29-14-15-30-27)19-10-12-28-13-11-19/h2-17H,1H3
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n/an/a 23n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397060
PNG
(CHEMBL2171436)
Show SMILES CNC(=O)Nc1ccc(-c2nc3c(C)nn(C4CCCCC4)c(=O)c3[nH]2)c(OC)c1
Show InChI InChI=1S/C21H26N6O3/c1-12-17-18(20(28)27(26-12)14-7-5-4-6-8-14)25-19(24-17)15-10-9-13(11-16(15)30-3)23-21(29)22-2/h9-11,14H,4-8H2,1-3H3,(H,24,25)(H2,22,23,29)
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n/an/a 24n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397053
PNG
(CHEMBL2171422)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1
Show InChI InChI=1S/C24H32N6O2/c1-15-21-22(24(31)30(28-15)17-6-4-3-5-7-17)27-23(26-21)19-9-8-18(14-20(19)32-2)29-12-10-16(25)11-13-29/h8-9,14,16-17H,3-7,10-13,25H2,1-2H3,(H,26,27)
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n/an/a 27n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048263
PNG
(CHEMBL3315039)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2nc3ccccc3cc12
Show InChI InChI=1S/C27H19N5O/c1-32-17-22(26-24(32)16-20-4-2-3-5-23(20)31-26)18-6-8-21(9-7-18)33-27-25(29-14-15-30-27)19-10-12-28-13-11-19/h2-17H,1H3
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n/an/a 29n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048271
PNG
(CHEMBL3315035)
Show SMILES Cn1cc(-c2cccc(Oc3nccc(n3)N3CCOCC3)c2)c2nc3ccccc3cc12
Show InChI InChI=1S/C26H23N5O2/c1-30-17-21(25-23(30)16-19-5-2-3-8-22(19)28-25)18-6-4-7-20(15-18)33-26-27-10-9-24(29-26)31-11-13-32-14-12-31/h2-10,15-17H,11-14H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048268
PNG
(CHEMBL3315040)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3cncnc3)cc2)c2nc3ccccc3cc12
Show InChI InChI=1S/C26H18N6O/c1-32-15-21(25-23(32)12-18-4-2-3-5-22(18)31-25)17-6-8-20(9-7-17)33-26-24(29-10-11-30-26)19-13-27-16-28-14-19/h2-16H,1H3
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n/an/a 31n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397054
PNG
(CHEMBL2171421)
Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(19(25)24(23-11)13-6-4-3-5-7-13)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397062
PNG
(CHEMBL2171434)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCN(CC1)C(C)=O
Show InChI InChI=1S/C26H34N6O3/c1-17-23-24(26(34)32(29-17)19-8-5-4-6-9-19)28-25(27-23)21-11-10-20(16-22(21)35-3)31-13-7-12-30(14-15-31)18(2)33/h10-11,16,19H,4-9,12-15H2,1-3H3,(H,27,28)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397063
PNG
(CHEMBL2171433)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCCC(O)CC1
Show InChI InChI=1S/C25H33N5O3/c1-16-22-23(25(32)30(28-16)17-7-4-3-5-8-17)27-24(26-22)20-11-10-18(15-21(20)33-2)29-13-6-9-19(31)12-14-29/h10-11,15,17,19,31H,3-9,12-14H2,1-2H3,(H,26,27)
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n/an/a 33n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50397054
PNG
(CHEMBL2171421)
Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(19(25)24(23-11)13-6-4-3-5-7-13)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22)
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n/an/a 43n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397067
PNG
(CHEMBL2171429)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C22H24N6O2/c1-13-19-20(22(29)28(27-13)16-6-4-3-5-7-16)26-21(25-19)17-9-8-14(10-18(17)30-2)15-11-23-24-12-15/h8-12,16H,3-7H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397066
PNG
(CHEMBL2171430)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC(O)C1
Show InChI InChI=1S/C22H27N5O3/c1-13-19-20(22(29)27(25-13)14-6-4-3-5-7-14)24-21(23-19)17-9-8-15(10-18(17)30-2)26-11-16(28)12-26/h8-10,14,16,28H,3-7,11-12H2,1-2H3,(H,23,24)
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n/an/a 53n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397068
PNG
(CHEMBL2171428)
Show SMILES COc1cc(O[C@@H]2CCNC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 |r|
Show InChI InChI=1S/C23H29N5O3/c1-14-20-21(23(29)28(27-14)15-6-4-3-5-7-15)26-22(25-20)18-9-8-16(12-19(18)30-2)31-17-10-11-24-13-17/h8-9,12,15,17,24H,3-7,10-11,13H2,1-2H3,(H,25,26)/t17-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Mus musculus)
BDBM50397054
PNG
(CHEMBL2171421)
Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(19(25)24(23-11)13-6-4-3-5-7-13)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22)
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n/an/a 63n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse PDE7A assessed as [3H]cAMP hydrolysis after 5 to 15 mins by scintillation counter


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397059
PNG
(CHEMBL2171437)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C21H22N6O4/c1-11-16-17(20(28)27(26-11)13-6-4-3-5-7-13)23-18(22-16)14-9-8-12(10-15(14)30-2)19-24-25-21(29)31-19/h8-10,13H,3-7H2,1-2H3,(H,22,23)(H,25,29)
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n/an/a 68n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048267
PNG
(CHEMBL3315043)
Show SMILES Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C23H16ClN5O/c1-29-14-19(22-20(29)12-17(24)13-28-22)15-2-4-18(5-3-15)30-23-21(26-10-11-27-23)16-6-8-25-9-7-16/h2-14H,1H3
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n/an/a 71n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397065
PNG
(CHEMBL2171431)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CCC(O)C1
Show InChI InChI=1S/C23H29N5O3/c1-14-20-21(23(30)28(26-14)15-6-4-3-5-7-15)25-22(24-20)18-9-8-16(12-19(18)31-2)27-11-10-17(29)13-27/h8-9,12,15,17,29H,3-7,10-11,13H2,1-2H3,(H,24,25)
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n/an/a 71n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397069
PNG
(CHEMBL2171427)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC(N)C1
Show InChI InChI=1S/C22H28N6O2/c1-13-19-20(22(29)28(26-13)15-6-4-3-5-7-15)25-21(24-19)17-9-8-16(10-18(17)30-2)27-11-14(23)12-27/h8-10,14-15H,3-7,11-12,23H2,1-2H3,(H,24,25)
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n/an/a 73n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397055
PNG
(CHEMBL2171442)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1
Show InChI InChI=1S/C25H34N6O2/c1-16-22-23(25(32)31(29-16)18-7-5-3-4-6-8-18)28-24(27-22)20-10-9-19(15-21(20)33-2)30-13-11-17(26)12-14-30/h9-10,15,17-18H,3-8,11-14,26H2,1-2H3,(H,27,28)
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n/an/a 75n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397072
PNG
(CHEMBL2171426)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H30N6O2/c1-14-20-21(23(30)29(27-14)16-6-4-3-5-7-16)26-22(25-20)18-9-8-17(12-19(18)31-2)28-11-10-15(24)13-28/h8-9,12,15-16H,3-7,10-11,13,24H2,1-2H3,(H,25,26)/t15-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50397071
PNG
(CHEMBL2171425)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C23H30N6O2/c1-14-20-21(23(30)29(27-14)16-6-4-3-5-7-16)26-22(25-20)18-9-8-17(12-19(18)31-2)28-11-10-15(24)13-28/h8-9,12,15-16H,3-7,10-11,13,24H2,1-2H3,(H,25,26)/t15-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay


Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
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