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Compile Data Set for Download or QSAR

Found 142 hits from biocrea GmbH   
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
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356419
PNG
(CHEMBL1911576)
Show SMILES NC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H16ClFN4O4/c24-16-2-1-3-17(25)14(16)10-29-11-15(21(31)20-18(29)8-9-19(30)28-20)23(33)27-13-6-4-12(5-7-13)22(26)32/h1-9,11H,10H2,(H2,26,32)(H,27,33)(H,28,30)
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n/an/a 10n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356422
PNG
(CHEMBL1911579)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H17ClFN3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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n/an/a 12n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356427
PNG
(CHEMBL1911559)
Show SMILES Fc1cccc(Cl)c1Cn1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C26H22ClFN4O4/c27-20-2-1-3-21(28)18(20)14-32-15-19(25(34)24-22(32)8-9-23(33)30-24)26(35)29-16-4-6-17(7-5-16)31-10-12-36-13-11-31/h1-9,15H,10-14H2,(H,29,35)(H,30,33)
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n/an/a 13n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356417
PNG
(CHEMBL1911574)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H18ClFN4O4/c1-13(31)27-14-5-7-15(8-6-14)28-24(34)17-12-30(11-16-18(25)3-2-4-19(16)26)20-9-10-21(32)29-22(20)23(17)33/h2-10,12H,11H2,1H3,(H,27,31)(H,28,34)(H,29,32)
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n/an/a 17n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356397
PNG
(CHEMBL1911553)
Show SMILES COc1cc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H21F2N3O6/c1-34-19-9-13(10-20(35-2)24(19)36-3)28-25(33)15-12-30(11-14-16(26)5-4-6-17(14)27)18-7-8-21(31)29-22(18)23(15)32/h4-10,12H,11H2,1-3H3,(H,28,33)(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356418
PNG
(CHEMBL1911575)
Show SMILES CC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H17ClFN3O4/c1-13(30)14-5-7-15(8-6-14)27-24(33)17-12-29(11-16-18(25)3-2-4-19(16)26)20-9-10-21(31)28-22(20)23(17)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,31)
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n/an/a 18n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356421
PNG
(CHEMBL1911578)
Show SMILES CNC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H18ClFN4O4/c1-27-23(33)13-5-7-14(8-6-13)28-24(34)16-12-30(11-15-17(25)3-2-4-18(15)26)19-9-10-20(31)29-21(19)22(16)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,34)(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356386
PNG
(CHEMBL1911436)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)C(=O)NCc2ccncc2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C29H21F2N5O4/c30-22-2-1-3-23(31)20(22)15-36-16-21(27(38)26-24(36)8-9-25(37)35-26)29(40)34-19-6-4-18(5-7-19)28(39)33-14-17-10-12-32-13-11-17/h1-13,16H,14-15H2,(H,33,39)(H,34,40)(H,35,37)
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n/an/a 20n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356424
PNG
(CHEMBL1911581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C22H16ClFN4O5S/c23-16-2-1-3-17(24)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-12-4-6-13(7-5-12)34(25,32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H2,25,32,33)
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n/an/a 20n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356368
PNG
(CHEMBL1911418)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C26H22F2N4O4/c27-20-2-1-3-21(28)18(20)14-32-15-19(25(34)24-22(32)8-9-23(33)30-24)26(35)29-16-4-6-17(7-5-16)31-10-12-36-13-11-31/h1-9,15H,10-14H2,(H,29,35)(H,30,33)
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n/an/a 22n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356374
PNG
(CHEMBL1911424)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H18F2N4O4/c1-13(31)27-14-5-7-15(8-6-14)28-24(34)17-12-30(11-16-18(25)3-2-4-19(16)26)20-9-10-21(32)29-22(20)23(17)33/h2-10,12H,11H2,1H3,(H,27,31)(H,28,34)(H,29,32)
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n/an/a 24n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356390
PNG
(CHEMBL1911440)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C25H17F2N5O5S2/c26-18-2-1-3-19(27)16(18)12-32-13-17(23(34)22-20(32)8-9-21(33)30-22)24(35)29-14-4-6-15(7-5-14)39(36,37)31-25-28-10-11-38-25/h1-11,13H,12H2,(H,28,31)(H,29,35)(H,30,33)
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n/an/a 25n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356388
PNG
(CHEMBL1911438)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H17F2N3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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n/an/a 27n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356385
PNG
(CHEMBL1911435)
Show SMILES CNC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H18F2N4O4/c1-27-23(33)13-5-7-14(8-6-13)28-24(34)16-12-30(11-15-17(25)3-2-4-18(15)26)19-9-10-20(31)29-21(19)22(16)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,34)(H,29,31)
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n/an/a 29n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356383
PNG
(CHEMBL1911433)
Show SMILES CC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H17F2N3O4/c1-13(30)14-5-7-15(8-6-14)27-24(33)17-12-29(11-16-18(25)3-2-4-19(16)26)20-9-10-21(31)28-22(20)23(17)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,31)
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n/an/a 29n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356425
PNG
(CHEMBL1911582)
Show SMILES Fc1cccc(Cl)c1Cn1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C25H17ClFN5O5S2/c26-18-2-1-3-19(27)16(18)12-32-13-17(23(34)22-20(32)8-9-21(33)30-22)24(35)29-14-4-6-15(7-5-14)39(36,37)31-25-28-10-11-38-25/h1-11,13H,12H2,(H,28,31)(H,29,35)(H,30,33)
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n/an/a 32n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356408
PNG
(CHEMBL1911565)
Show SMILES COc1cc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H21ClFN3O6/c1-34-19-9-13(10-20(35-2)24(19)36-3)28-25(33)15-12-30(11-14-16(26)5-4-6-17(14)27)18-7-8-21(31)29-22(18)23(15)32/h4-10,12H,11H2,1-3H3,(H,28,33)(H,29,31)
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n/an/a 33n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356426
PNG
(CHEMBL1911583)
Show SMILES COc1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1Cl
Show InChI InChI=1S/C23H16Cl2FN3O4/c1-33-19-7-5-12(9-16(19)25)27-23(32)14-11-29(10-13-15(24)3-2-4-17(13)26)18-6-8-20(30)28-21(18)22(14)31/h2-9,11H,10H2,1H3,(H,27,32)(H,28,30)
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n/an/a 34n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356389
PNG
(CHEMBL1911439)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C22H16F2N4O5S/c23-16-2-1-3-17(24)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-12-4-6-13(7-5-12)34(25,32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H2,25,32,33)
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n/an/a 34n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356416
PNG
(CHEMBL1911573)
Show SMILES CN(C)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H20ClFN4O3/c1-29(2)15-8-6-14(7-9-15)27-24(33)17-13-30(12-16-18(25)4-3-5-19(16)26)20-10-11-21(31)28-22(20)23(17)32/h3-11,13H,12H2,1-2H3,(H,27,33)(H,28,31)
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n/an/a 39n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356420
PNG
(CHEMBL1911577)
Show SMILES NC(=O)c1cccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)c1
Show InChI InChI=1S/C23H16ClFN4O4/c24-16-5-2-6-17(25)14(16)10-29-11-15(21(31)20-18(29)7-8-19(30)28-20)23(33)27-13-4-1-3-12(9-13)22(26)32/h1-9,11H,10H2,(H2,26,32)(H,27,33)(H,28,30)
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n/an/a 44n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356370
PNG
(CHEMBL1911420)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24F2N4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a 46n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356384
PNG
(CHEMBL1911434)
Show SMILES NC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H16F2N4O4/c24-16-2-1-3-17(25)14(16)10-29-11-15(21(31)20-18(29)8-9-19(30)28-20)23(33)27-13-6-4-12(5-7-13)22(26)32/h1-9,11H,10H2,(H2,26,32)(H,27,33)(H,28,30)
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n/an/a 49n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356423
PNG
(CHEMBL1911580)
Show SMILES CS(=O)(=O)c1cccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)c1
Show InChI InChI=1S/C23H17ClFN3O5S/c1-34(32,33)14-5-2-4-13(10-14)26-23(31)16-12-28(11-15-17(24)6-3-7-18(15)25)19-8-9-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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n/an/a 59n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356428
PNG
(CHEMBL1911572)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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n/an/a 60n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356371
PNG
(CHEMBL1911421)
Show SMILES CN(C)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H20F2N4O3/c1-29(2)15-8-6-14(7-9-15)27-24(33)17-13-30(12-16-18(25)4-3-5-19(16)26)20-10-11-21(31)28-22(20)23(17)32/h3-11,13H,12H2,1-2H3,(H,27,33)(H,28,31)
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n/an/a 66n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356394
PNG
(CHEMBL1911444)
Show SMILES FC(F)Oc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H15F4N3O4/c24-16-2-1-3-17(25)14(16)10-30-11-15(21(32)20-18(30)8-9-19(31)29-20)22(33)28-12-4-6-13(7-5-12)34-23(26)27/h1-9,11,23H,10H2,(H,28,33)(H,29,31)
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n/an/a 71n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50356422
PNG
(CHEMBL1911579)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H17ClFN3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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n/an/a 73n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356372
PNG
(CHEMBL1911422)
Show SMILES CNc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H18F2N4O3/c1-26-13-5-7-14(8-6-13)27-23(32)16-12-29(11-15-17(24)3-2-4-18(15)25)19-9-10-20(30)28-21(19)22(16)31/h2-10,12,26H,11H2,1H3,(H,27,32)(H,28,30)
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n/an/a 82n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356391
PNG
(CHEMBL1911441)
Show SMILES CSc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H17F2N3O3S/c1-32-14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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n/an/a 86n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356414
PNG
(CHEMBL1911570)
Show SMILES COc1cc(NC(=O)c2cn(Cc3c(Cl)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H21Cl2N3O6/c1-34-19-9-13(10-20(35-2)24(19)36-3)28-25(33)15-12-30(11-14-16(26)5-4-6-17(14)27)18-7-8-21(31)29-22(18)23(15)32/h4-10,12H,11H2,1-3H3,(H,28,33)(H,29,31)
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n/an/a 88n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356395
PNG
(CHEMBL1911551)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C23H14F5N3O4/c24-16-2-1-3-17(25)14(16)10-31-11-15(21(33)20-18(31)8-9-19(32)30-20)22(34)29-12-4-6-13(7-5-12)35-23(26,27)28/h1-9,11H,10H2,(H,29,34)(H,30,32)
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n/an/a 90n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50356419
PNG
(CHEMBL1911576)
Show SMILES NC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H16ClFN4O4/c24-16-2-1-3-17(25)14(16)10-29-11-15(21(31)20-18(29)8-9-19(30)28-20)23(33)27-13-6-4-12(5-7-13)22(26)32/h1-9,11H,10H2,(H2,26,32)(H,27,33)(H,28,30)
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n/an/a 90n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356375
PNG
(CHEMBL1911425)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccccc2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C22H15F2N3O3/c23-16-7-4-8-17(24)14(16)11-27-12-15(22(30)25-13-5-2-1-3-6-13)21(29)20-18(27)9-10-19(28)26-20/h1-10,12H,11H2,(H,25,30)(H,26,28)
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n/an/a 94n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356376
PNG
(CHEMBL1911426)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)C#N)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C23H14F2N4O3/c24-17-2-1-3-18(25)15(17)11-29-12-16(22(31)21-19(29)8-9-20(30)28-21)23(32)27-14-6-4-13(10-26)5-7-14/h1-9,12H,11H2,(H,27,32)(H,28,30)
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n/an/a 96n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356373
PNG
(CHEMBL1911423)
Show SMILES Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C22H16F2N4O3/c23-16-2-1-3-17(24)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-13-6-4-12(25)5-7-13/h1-9,11H,10,25H2,(H,26,31)(H,27,29)
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n/an/a 104n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356392
PNG
(CHEMBL1911442)
Show SMILES Oc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C22H15F2N3O4/c23-16-2-1-3-17(24)14(16)10-27-11-15(21(30)20-18(27)8-9-19(29)26-20)22(31)25-12-4-6-13(28)7-5-12/h1-9,11,28H,10H2,(H,25,31)(H,26,29)
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n/an/a 105n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356369
PNG
(CHEMBL1911419)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)N2CCCCC2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C27H24F2N4O3/c28-21-5-4-6-22(29)19(21)15-33-16-20(26(35)25-23(33)11-12-24(34)31-25)27(36)30-17-7-9-18(10-8-17)32-13-2-1-3-14-32/h4-12,16H,1-3,13-15H2,(H,30,36)(H,31,34)
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n/an/a 124n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356393
PNG
(CHEMBL1911443)
Show SMILES COc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H17F2N3O4/c1-32-14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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n/an/a 151n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50356421
PNG
(CHEMBL1911578)
Show SMILES CNC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H18ClFN4O4/c1-27-23(33)13-5-7-14(8-6-13)28-24(34)16-12-30(11-15-17(25)3-2-4-18(15)26)19-9-10-20(31)29-21(19)22(16)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,34)(H,29,31)
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n/an/a 156n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50356418
PNG
(CHEMBL1911575)
Show SMILES CC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H17ClFN3O4/c1-13(30)14-5-7-15(8-6-14)27-24(33)17-12-29(11-16-18(25)3-2-4-19(16)26)20-9-10-21(31)28-22(20)23(17)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,31)
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n/an/a 161n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356402
PNG
(CHEMBL1911558)
Show SMILES Clc1cccc(Cl)c1Cn1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C26H22Cl2N4O4/c27-20-2-1-3-21(28)18(20)14-32-15-19(25(34)24-22(32)8-9-23(33)30-24)26(35)29-16-4-6-17(7-5-16)31-10-12-36-13-11-31/h1-9,15H,10-14H2,(H,29,35)(H,30,33)
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n/an/a 165n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356382
PNG
(CHEMBL1911432)
Show SMILES OC(=O)Cc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C24H17F2N3O5/c25-17-2-1-3-18(26)15(17)11-29-12-16(23(33)22-19(29)8-9-20(30)28-22)24(34)27-14-6-4-13(5-7-14)10-21(31)32/h1-9,12H,10-11H2,(H,27,34)(H,28,30)(H,31,32)
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n/an/a 176n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356410
PNG
(CHEMBL1911567)
Show SMILES COc1cc(NC(=O)c2cn(Cc3ccccc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H22ClN3O6/c1-33-19-10-15(11-20(34-2)24(19)35-3)27-25(32)16-13-29(12-14-6-4-5-7-17(14)26)18-8-9-21(30)28-22(18)23(16)31/h4-11,13H,12H2,1-3H3,(H,27,32)(H,28,30)
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n/an/a 178n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356378
PNG
(CHEMBL1911428)
Show SMILES Fc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C22H14F3N3O3/c23-12-4-6-13(7-5-12)26-22(31)15-11-28(10-14-16(24)2-1-3-17(14)25)18-8-9-19(29)27-20(18)21(15)30/h1-9,11H,10H2,(H,26,31)(H,27,29)
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n/an/a 179n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356387
PNG
(CHEMBL1911437)
Show SMILES Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c(=O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C27H22F2N4O5/c28-20-2-1-3-21(29)18(20)14-33-15-19(25(35)24-22(33)8-9-23(34)31-24)26(36)30-17-6-4-16(5-7-17)27(37)32-10-12-38-13-11-32/h1-9,15H,10-14H2,(H,30,36)(H,31,34)
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n/an/a 188n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356413
PNG
(CHEMBL1911569)
Show SMILES COc1cc(NC(=O)c2cn(Cc3ccc(F)cc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H21ClFN3O6/c1-34-19-9-15(10-20(35-2)24(19)36-3)28-25(33)16-12-30(11-13-4-5-14(27)8-17(13)26)18-6-7-21(31)29-22(18)23(16)32/h4-10,12H,11H2,1-3H3,(H,28,33)(H,29,31)
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n/an/a 192n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356381
PNG
(CHEMBL1911431)
Show SMILES OC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H15F2N3O5/c24-16-2-1-3-17(25)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-13-6-4-12(5-7-13)23(32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H,32,33)
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n/an/a 200n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50356384
PNG
(CHEMBL1911434)
Show SMILES NC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H16F2N4O4/c24-16-2-1-3-17(25)14(16)10-29-11-15(21(31)20-18(29)8-9-19(30)28-20)23(33)27-13-6-4-12(5-7-13)22(26)32/h1-9,11H,10H2,(H2,26,32)(H,27,33)(H,28,30)
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n/an/a 201n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50356411
PNG
(CHEMBL1911550)
Show SMILES COc1cc(NC(=O)c2cn(Cc3ccccc3F)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H22FN3O6/c1-33-19-10-15(11-20(34-2)24(19)35-3)27-25(32)16-13-29(12-14-6-4-5-7-17(14)26)18-8-9-21(30)28-22(18)23(16)31/h4-11,13H,12H2,1-3H3,(H,27,32)(H,28,30)
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n/an/a 206n/an/an/an/an/an/a



biocrea GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 6652-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.065
BindingDB Entry DOI: 10.7270/Q2KD1Z91
More data for this
Ligand-Target Pair
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