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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50045026   
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042053
PNG
(CHEMBL3360172)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1S/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)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042036
PNG
(CHEMBL3360170)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC
Show InChI InChI=1S/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)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(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)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042035
PNG
(CHEMBL3360171)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C(C)(C)CO
Show InChI InChI=1S/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)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(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)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(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)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042038
PNG
(CHEMBL3360168)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(CCCO)csc2c1=O
Show InChI InChI=1S/C16H17FN4O2S/c1-2-21-15(23)14-13(10(9-24-14)4-3-7-22)20-16(21)19-12-5-6-18-8-11(12)17/h5-6,8-9,22H,2-4,7H2,1H3,(H,18,19,20)
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n/an/a 3.90n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042040
PNG
(CHEMBL3360166)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C(C)O
Show InChI InChI=1S/C15H15FN4O2S/c1-3-20-14(22)13-12(9(7-23-13)8(2)21)19-15(20)18-11-4-5-17-6-10(11)16/h4-8,21H,3H2,1-2H3,(H,17,18,19)
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n/an/a 8.70n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM50042053
PNG
(CHEMBL3360172)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1S/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 17n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042053
PNG
(CHEMBL3360172)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1S/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 20n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042041
PNG
(CHEMBL3360165)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C#N
Show InChI InChI=1S/C14H10FN5OS/c1-2-20-13(21)12-11(8(5-16)7-22-12)19-14(20)18-10-3-4-17-6-9(10)15/h3-4,6-7H,2H2,1H3,(H,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM50042036
PNG
(CHEMBL3360170)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC
Show InChI InChI=1S/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 29n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM50042035
PNG
(CHEMBL3360171)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C(C)(C)CO
Show InChI InChI=1S/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 37n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042045
PNG
(CHEMBL3360161)
Show SMILES CCn1c(Nc2ccccc2Cl)nc2ccsc2c1=O
Show InChI InChI=1S/C14H12ClN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
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n/an/a 41n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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 56n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042042
PNG
(CHEMBL3360164)
Show SMILES CCn1c(Nc2ccncc2F)nc2ccsc2c1=O
Show InChI InChI=1S/C13H11FN4OS/c1-2-18-12(19)11-10(4-6-20-11)17-13(18)16-9-3-5-15-7-8(9)14/h3-7H,2H2,1H3,(H,15,16,17)
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n/an/a 60n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042046
PNG
(CHEMBL3360160)
Show SMILES CCn1c(Nc2ccccc2F)nc2ccsc2c1=O
Show InChI InChI=1S/C14H12FN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
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n/an/a 61n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042051
PNG
(CHEMBL3360155)
Show SMILES CCn1c(Nc2ccccc2C)nc2ccsc2c1=O
Show InChI InChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(8-9-20-13)17-15(18)16-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,16,17)
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n/an/a 88n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032569
PNG
(CHEMBL3354160)
Show SMILES CCn1c(NC2CCCC2)nc2ccsc2c1=O
Show InChI InChI=1S/C13H17N3OS/c1-2-16-12(17)11-10(7-8-18-11)15-13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15)
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n/an/a 150n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032609
PNG
(CHEMBL3354155)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)-c1cc2nc(NCC=C)n(C)c(=O)c2s1
Show InChI InChI=1S/C23H29N5OS/c1-5-10-24-23-25-19-15-20(30-21(19)22(29)26(23)4)17-6-8-18(9-7-17)28-13-11-27(12-14-28)16(2)3/h5-9,15-16H,1,10-14H2,2-4H3,(H,24,25)
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Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042035
PNG
(CHEMBL3360171)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C(C)(C)CO
Show InChI InChI=1S/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 180n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042038
PNG
(CHEMBL3360168)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(CCCO)csc2c1=O
Show InChI InChI=1S/C16H17FN4O2S/c1-2-21-15(23)14-13(10(9-24-14)4-3-7-22)20-16(21)19-12-5-6-18-8-11(12)17/h5-6,8-9,22H,2-4,7H2,1H3,(H,18,19,20)
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n/an/a 180n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042036
PNG
(CHEMBL3360170)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC
Show InChI InChI=1S/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 280n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042052
PNG
(CHEMBL3360154)
Show SMILES CCn1c(Nc2ccccc2)nc2ccsc2c1=O
Show InChI InChI=1S/C14H13N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16)
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n/an/a 290n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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 310n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50042036
PNG
(CHEMBL3360170)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC
Show InChI InChI=1S/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 520n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE5A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042040
PNG
(CHEMBL3360166)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C(C)O
Show InChI InChI=1S/C15H15FN4O2S/c1-3-20-14(22)13-12(9(7-23-13)8(2)21)19-15(20)18-11-4-5-17-6-10(11)16/h4-8,21H,3H2,1-2H3,(H,17,18,19)
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n/an/a 610n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042043
PNG
(CHEMBL3360163)
Show SMILES CCn1c(Nc2ccncc2)nc2ccsc2c1=O
Show InChI InChI=1S/C13H12N4OS/c1-2-17-12(18)11-10(5-8-19-11)16-13(17)15-9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,14,15,16)
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n/an/a 630n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042041
PNG
(CHEMBL3360165)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C#N
Show InChI InChI=1S/C14H10FN5OS/c1-2-20-13(21)12-11(8(5-16)7-22-12)19-14(20)18-10-3-4-17-6-9(10)15/h3-4,6-7H,2H2,1H3,(H,17,18,19)
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n/an/a 670n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042048
PNG
(CHEMBL3360158)
Show SMILES CCc1ccccc1Nc1nc2ccsc2c(=O)n1CC
Show InChI InChI=1S/C16H17N3OS/c1-3-11-7-5-6-8-12(11)17-16-18-13-9-10-21-14(13)15(20)19(16)4-2/h5-10H,3-4H2,1-2H3,(H,17,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042044
PNG
(CHEMBL3360162)
Show SMILES CCn1c(Nc2cccnc2)nc2ccsc2c1=O
Show InChI InChI=1S/C13H12N4OS/c1-2-17-12(18)11-10(5-7-19-11)16-13(17)15-9-4-3-6-14-8-9/h3-8H,2H2,1H3,(H,15,16)
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Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042050
PNG
(CHEMBL3360156)
Show SMILES CCn1c(Nc2cccc(C)c2)nc2ccsc2c1=O
Show InChI InChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(7-8-20-13)17-15(18)16-11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3,(H,16,17)
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Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042049
PNG
(CHEMBL3360157)
Show SMILES CCn1c(Nc2ccc(C)cc2)nc2ccsc2c1=O
Show InChI InChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(8-9-20-13)17-15(18)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17)
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Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50042047
PNG
(CHEMBL3360159)
Show SMILES CCn1c(Nc2ccccc2C#N)nc2ccsc2c1=O
Show InChI InChI=1S/C15H12N4OS/c1-2-19-14(20)13-12(7-8-21-13)18-15(19)17-11-6-4-3-5-10(11)9-16/h3-8H,2H2,1H3,(H,17,18)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042046
PNG
(CHEMBL3360160)
Show SMILES CCn1c(Nc2ccccc2F)nc2ccsc2c1=O
Show InChI InChI=1S/C14H12FN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50042053
PNG
(CHEMBL3360172)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1S/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 2.90E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE5A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042045
PNG
(CHEMBL3360161)
Show SMILES CCn1c(Nc2ccccc2Cl)nc2ccsc2c1=O
Show InChI InChI=1S/C14H12ClN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042051
PNG
(CHEMBL3360155)
Show SMILES CCn1c(Nc2ccccc2C)nc2ccsc2c1=O
Show InChI InChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(8-9-20-13)17-15(18)16-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,16,17)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50032569
PNG
(CHEMBL3354160)
Show SMILES CCn1c(NC2CCCC2)nc2ccsc2c1=O
Show InChI InChI=1S/C13H17N3OS/c1-2-16-12(17)11-10(7-8-18-11)15-13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042042
PNG
(CHEMBL3360164)
Show SMILES CCn1c(Nc2ccncc2F)nc2ccsc2c1=O
Show InChI InChI=1S/C13H11FN4OS/c1-2-18-12(19)11-10(4-6-20-11)17-13(18)16-9-3-5-15-7-8(9)14/h3-7H,2H2,1H3,(H,15,16,17)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042052
PNG
(CHEMBL3360154)
Show SMILES CCn1c(Nc2ccccc2)nc2ccsc2c1=O
Show InChI InChI=1S/C14H13N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50042035
PNG
(CHEMBL3360171)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C(C)(C)CO
Show InChI InChI=1S/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>1.00E+4n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE5A (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50042043
PNG
(CHEMBL3360163)
Show SMILES CCn1c(Nc2ccncc2)nc2ccsc2c1=O
Show InChI InChI=1S/C13H12N4OS/c1-2-17-12(18)11-10(5-8-19-11)16-13(17)15-9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,14,15,16)
PDB

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antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)

Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair