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Compile Data Set for Download or QSAR

Found 28 hits of ki data for polymerid = 6027,50006186   
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 cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380632
PNG
(CHEMBL2017057)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)N(C)C(C)(C)C)c3-c2cc1OC
Show InChI InChI=1S/C22H26N4O3S/c1-22(2,3)25(4)21(27)20-23-11-17(30-20)18-19-14-10-16(29-6)15(28-5)9-13(14)7-8-26(19)12-24-18/h9-12H,7-8H2,1-6H3
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243n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380636
PNG
(CHEMBL2017060)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)N4CCCOCC4)c3-c2cc1OC
Show InChI InChI=1S/C22H24N4O4S/c1-28-16-10-14-4-6-26-13-24-19(20(26)15(14)11-17(16)29-2)18-12-23-21(31-18)22(27)25-5-3-8-30-9-7-25/h10-13H,3-9H2,1-2H3
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269n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380638
PNG
(CHEMBL2017062)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)NCc4ccccc4)c3-c2cc1OC
Show InChI InChI=1S/C24H22N4O3S/c1-30-18-10-16-8-9-28-14-27-21(22(28)17(16)11-19(18)31-2)20-13-26-24(32-20)23(29)25-12-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,25,29)
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507n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380637
PNG
(CHEMBL2017061)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)NC4CCOCC4)c3-c2cc1OC
Show InChI InChI=1S/C22H24N4O4S/c1-28-16-9-13-3-6-26-12-24-19(20(26)15(13)10-17(16)29-2)18-11-23-22(31-18)21(27)25-14-4-7-30-8-5-14/h9-12,14H,3-8H2,1-2H3,(H,25,27)
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550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380635
PNG
(CHEMBL2017059)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)N4CCOCC4)c3-c2cc1OC
Show InChI InChI=1S/C21H22N4O4S/c1-27-15-9-13-3-4-25-12-23-18(19(25)14(13)10-16(15)28-2)17-11-22-20(30-17)21(26)24-5-7-29-8-6-24/h9-12H,3-8H2,1-2H3
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613n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380641
PNG
(CHEMBL2017065)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)N4CCOCC4)c3-c2cc1OC
Show InChI InChI=1S/C20H22N4O3S/c1-25-15-9-13-3-4-24-12-22-18(19(24)14(13)10-16(15)26-2)17-11-21-20(28-17)23-5-7-27-8-6-23/h9-12H,3-8H2,1-2H3
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2.47E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380633
PNG
(CHEMBL2017087)
Show SMILES COc1cc2CCn3cnc(-c4cncs4)c3-c2cc1OC
Show InChI InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380656
PNG
(CHEMBL2017080)
Show SMILES CCOc1cccc(c1)-c1ncn2CCc3cc(OC)c(OC)cc3-c12
Show InChI InChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3
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3.76E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380643
PNG
(CHEMBL2017067)
Show SMILES COc1cc2CCn3cnc(-c4cnc(CN5CCCOCC5)s4)c3-c2cc1OC
Show InChI InChI=1S/C22H26N4O3S/c1-27-17-10-15-4-6-26-14-24-21(22(26)16(15)11-18(17)28-2)19-12-23-20(30-19)13-25-5-3-8-29-9-7-25/h10-12,14H,3-9,13H2,1-2H3
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3.77E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380640
PNG
(CHEMBL2017064)
Show SMILES COc1cc2CCn3cnc(-c4cnc(CO)s4)c3-c2cc1OC
Show InChI InChI=1S/C17H17N3O3S/c1-22-12-5-10-3-4-20-9-19-16(14-7-18-15(8-21)24-14)17(20)11(10)6-13(12)23-2/h5-7,9,21H,3-4,8H2,1-2H3
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4.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380642
PNG
(CHEMBL2017066)
Show SMILES COc1cc2CCn3cnc(-c4cnc(CN5CCOCC5)s4)c3-c2cc1OC
Show InChI InChI=1S/C21H24N4O3S/c1-26-16-9-14-3-4-25-13-23-20(21(25)15(14)10-17(16)27-2)18-11-22-19(29-18)12-24-5-7-28-8-6-24/h9-11,13H,3-8,12H2,1-2H3
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4.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380653
PNG
(CHEMBL2017078)
Show SMILES COc1cccc(c1)-c1ncn2CCc3cc(OC)c(OC)cc3-c12
Show InChI InChI=1S/C20H20N2O3/c1-23-15-6-4-5-14(9-15)19-20-16-11-18(25-3)17(24-2)10-13(16)7-8-22(20)12-21-19/h4-6,9-12H,7-8H2,1-3H3
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5.54E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50385902
PNG
(CHEMBL2041596)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C21H20O6/c1-23-18-11-14(12-19(24-2)20(18)25-3)13-26-21(22)17-10-9-16(27-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
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5.91E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380662
PNG
(CHEMBL2017086)
Show SMILES COc1cc2CCn3c(C)nc(c3-c2cc1OC)-c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c1-12-21-18(14-5-4-7-20-11-14)19-15-10-17(24-3)16(23-2)9-13(15)6-8-22(12)19/h4-5,7,9-11H,6,8H2,1-3H3
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5.98E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380634
PNG
(CHEMBL2017058)
Show SMILES COc1cc2CCn3c(C)nc(-c4cncs4)c3-c2cc1OC
Show InChI InChI=1S/C17H17N3O2S/c1-10-19-16(15-8-18-9-23-15)17-12-7-14(22-3)13(21-2)6-11(12)4-5-20(10)17/h6-9H,4-5H2,1-3H3
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6.12E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380650
PNG
(CHEMBL2017075)
Show SMILES COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN2O2/c1-23-16-9-12-6-7-22-11-21-18(13-4-3-5-14(20)8-13)19(22)15(12)10-17(16)24-2/h3-5,8-11H,6-7H2,1-2H3
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6.94E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50385903
PNG
(CHEMBL2041614)
Show SMILES COc1cc(CNC(=O)c2ccc(o2)-c2ccc(C)cc2[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O7/c1-13-5-6-15(16(9-13)24(26)27)17-7-8-18(31-17)22(25)23-12-14-10-19(28-2)21(30-4)20(11-14)29-3/h5-11H,12H2,1-4H3,(H,23,25)
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7.22E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380657
PNG
(CHEMBL2017081)
Show SMILES COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C23H25N3O3/c1-27-20-13-16-6-7-26-15-24-22(23(26)19(16)14-21(20)28-2)17-4-3-5-18(12-17)25-8-10-29-11-9-25/h3-5,12-15H,6-11H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7


J Med Chem 38: 4972-5 (1996)


BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362046
PNG
(CHEMBL1940056)
Show SMILES Cc1n[nH]c2nc3c(C)cc(O)cc3c(CN3CCCOCC3)c12
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23)9-14-15(10-22-4-3-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9,23H,3-7,10H2,1-2H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362047
PNG
(CHEMBL1940057)
Show SMILES COCCOc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O3/c1-14-11-16(28-10-9-26-3)12-17-18(13-25-5-4-7-27-8-6-25)19-15(2)23-24-21(19)22-20(14)17/h11-12H,4-10,13H2,1-3H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362043
PNG
(CHEMBL1940053)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362035
PNG
(CHEMBL1939914)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362036
PNG
(CHEMBL1939915)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOC(C)C3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-7-14(24-4)8-15-16(10-23-5-6-25-12(2)9-23)17-13(3)21-22-19(17)20-18(11)15/h7-8,12H,5-6,9-10H2,1-4H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50362033
PNG
(CHEMBL1939912)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CC[C@@H](O)C3)c2c1 |r|
Show InChI InChI=1S/C18H22N4O2/c1-10-6-13(24-3)7-14-15(9-22-5-4-12(23)8-22)16-11(2)20-21-18(16)19-17(10)14/h6-7,12,23H,4-5,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE7A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380655
PNG
(CHEMBL2016583)
Show SMILES COc1cc2CCn3cnc(c3-c2cc1OC)-c1cccc(Br)c1
Show InChI InChI=1S/C19H17BrN2O2/c1-23-16-9-12-6-7-22-11-21-18(13-4-3-5-14(20)8-13)19(22)15(12)10-17(16)24-2/h3-5,8-11H,6-7H2,1-2H3
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1.01E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50380645
PNG
(CHEMBL2017069)
Show SMILES COc1cc2CCn3cnc(-c4cnco4)c3-c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3
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1.11E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
More data for this
Ligand-Target Pair