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Compile Data Set for Download or QSAR

Found 689 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 7' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
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600n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 7


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50027176
PNG
(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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4.00E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 7


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50362033
PNG
(CHEMBL1939912)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CC[C@@H](O)C3)c2c1
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50042053
PNG
(CHEMBL3360172)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1/C23H23FN6O2S/c1-2-30-20(31)19-18(28-22(30)27-17-5-8-26-10-16(17)24)15(12-33-19)14-4-3-9-29(11-14)21(32)23(13-25)6-7-23/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,26,27,28)
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n/an/a 0.320n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50042036
PNG
(CHEMBL3360170)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC
Show InChI InChI=1/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-6-7-22-9-14(15)21)13(11-30-17)12-5-4-8-25(10-12)20(28)29-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,23,24)
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n/an/a 0.680n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032547
PNG
(CHEMBL3354181)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H27N5O2S/c1-2-27-21(28)20-19(25-22(27)24-16-5-3-4-6-16)17(14-30-20)15-7-8-18(23-13-15)26-9-11-29-12-10-26/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50129817
PNG
(CHEMBL3628685)
Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay


Bioorg Med Chem 23: 7332-9 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50042037
PNG
(CHEMBL3360169)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCN(CC1)C(=O)OC
Show InChI InChI=1S/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-4-7-22-10-14(15)21)13(11-30-17)12-5-8-25(9-6-12)20(28)29-2/h4,7,10-12H,3,5-6,8-9H2,1-2H3,(H,22,23,24)
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n/an/a 1.10n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50042035
PNG
(CHEMBL3360171)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C(C)(C)CO
Show InChI InChI=1/C23H28FN5O3S/c1-4-29-20(31)19-18(27-22(29)26-17-7-8-25-10-16(17)24)15(12-33-19)14-6-5-9-28(11-14)21(32)23(2,3)13-30/h7-8,10,12,14,30H,4-6,9,11,13H2,1-3H3,(H,25,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM116309
PNG
(US8637528, OM69)
Show SMILES COc1cc(N)ccc1-c1cc2c(C(N=[N+]2C)C2CCCCC2)c(=O)[nH]1
Show InChI InChI=1S/C20H24N4O2/c1-24-16-11-15(14-9-8-13(21)10-17(14)26-2)22-20(25)18(16)19(23-24)12-6-4-3-5-7-12/h8-12,19H,3-7H2,1-2H3,(H2-,21,22,25)/p+1
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50381287
PNG
(CHEMBL2019020)
Show SMILES COc1cc(N)ccc1-c1nc2n(C)nc(C3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-24-18-15(16(23-24)11-6-4-3-5-7-11)19(25)22-17(21-18)13-9-8-12(20)10-14(13)26-2/h8-11H,3-7,20H2,1-2H3,(H,21,22,25)
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n/an/a 1.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-cAMP from human recombinant PDE7A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50068286
PNG
(CHEMBL3403373)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)c1ncccc1C
Show InChI InChI=1/C22H27N5O2S/c1-5-27-21(29)19-18(25-22(27)24-13(2)3)16(12-30-19)15-8-10-26(11-15)20(28)17-14(4)7-6-9-23-17/h6-7,9,12-13,15H,5,8,10-11H2,1-4H3,(H,24,25)
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n/an/a 1.40n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50068283
PNG
(CHEMBL3403371)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)c1ccccc1
Show InChI InChI=1/C22H26N4O2S/c1-4-26-21(28)19-18(24-22(26)23-14(2)3)17(13-29-19)16-10-11-25(12-16)20(27)15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032540
PNG
(CHEMBL3354179)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1cccnc1
Show InChI InChI=1S/C18H20N4OS/c1-2-22-17(23)16-15(21-18(22)20-13-7-3-4-8-13)14(11-24-16)12-6-5-9-19-10-12/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
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n/an/a 2n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM140128
PNG
(US8901315, 256)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)N1CCNC1=O
Show InChI InChI=1S/C21H24N6O2S/c1-13-16-11-17(30-20(16)27(25-13)15-5-3-2-4-6-15)19(28)24-14-7-8-18(23-12-14)26-10-9-22-21(26)29/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,22,29)(H,24,28)
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US Patent
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifi...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032540
PNG
(CHEMBL3354179)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1cccnc1
Show InChI InChI=1S/C18H20N4OS/c1-2-22-17(23)16-15(21-18(22)20-13-7-3-4-8-13)14(11-24-16)12-6-5-9-19-10-12/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
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n/an/a 2n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50042039
PNG
(CHEMBL3360167)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C(C)(C)O
Show InChI InChI=1S/C16H17FN4O2S/c1-4-21-14(22)13-12(9(8-24-13)16(2,3)23)20-15(21)19-11-5-6-18-7-10(11)17/h5-8,23H,4H2,1-3H3,(H,18,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032543
PNG
(CHEMBL3354180)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H30N4O2S/c1-2-28-23(29)22-21(26-24(28)25-19-5-3-4-6-19)20(16-31-22)18-9-7-17(8-10-18)15-27-11-13-30-14-12-27/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50068285
PNG
(CHEMBL3403372)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)c1ccccn1
Show InChI InChI=1/C21H25N5O2S/c1-4-26-20(28)18-17(24-21(26)23-13(2)3)15(12-29-18)14-8-10-25(11-14)19(27)16-7-5-6-9-22-16/h5-7,9,12-14H,4,8,10-11H2,1-3H3,(H,23,24)
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n/an/a 2.70n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM140095
PNG
(US8901315, 179)
Show SMILES CNC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
Show InChI InChI=1S/C25H39N5OS/c1-17-22-16-23(32-25(22)30(28-17)21-6-4-3-5-7-21)24(31)27-19-8-10-20(11-9-19)29-14-12-18(26-2)13-15-29/h16,18-21,26H,3-15H2,1-2H3,(H,27,31)/t19-,20-
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US Patent
n/an/a 3.10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifi...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50068287
PNG
(CHEMBL3403346)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)c1cccc(C)n1
Show InChI InChI=1/C22H27N5O2S/c1-5-27-21(29)19-18(25-22(27)23-13(2)3)16(12-30-19)15-9-10-26(11-15)20(28)17-8-6-7-14(4)24-17/h6-8,12-13,15H,5,9-11H2,1-4H3,(H,23,25)
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n/an/a 3.30n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
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