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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'ogura' and Initial = 'k'   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 16n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 29n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 53n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50216518
PNG
(3-(2-(4-(pyridin-3-yl)benzyl)-3-oxoisoindolin-5-yl...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3cccnc3)C(=O)c2c1
Show InChI InChI=1S/C23H19N3O3/c27-22(25-29)10-6-16-3-9-20-15-26(23(28)21(20)12-16)14-17-4-7-18(8-5-17)19-2-1-11-24-13-19/h1-13,29H,14-15H2,(H,25,27)/b10-6+
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n/an/a 56n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216518
PNG
(3-(2-(4-(pyridin-3-yl)benzyl)-3-oxoisoindolin-5-yl...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3cccnc3)C(=O)c2c1
Show InChI InChI=1S/C23H19N3O3/c27-22(25-29)10-6-16-3-9-20-15-26(23(28)21(20)12-16)14-17-4-7-18(8-5-17)19-2-1-11-24-13-19/h1-13,29H,14-15H2,(H,25,27)/b10-6+
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n/an/a 92n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50216517
PNG
(3-(2-biphenyl-4-ylmethyl-3-oxo-2,3-dihydro-1H-isoi...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H20N2O3/c27-23(25-29)13-9-17-6-12-21-16-26(24(28)22(21)14-17)15-18-7-10-20(11-8-18)19-4-2-1-3-5-19/h1-14,29H,15-16H2,(H,25,27)/b13-9+
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n/an/a 98n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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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n/an/a 160n/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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50216519
PNG
(3-(2-(4-tert-butylbenzyl)-3-oxoisoindolin-5-yl)-N-...)
Show SMILES CC(C)(C)c1ccc(CN2Cc3ccc(\C=C\C(=O)NO)cc3C2=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)18-9-5-16(6-10-18)13-24-14-17-8-4-15(7-11-20(25)23-27)12-19(17)21(24)26/h4-12,27H,13-14H2,1-3H3,(H,23,25)/b11-7+
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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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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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50216515
PNG
(3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylam...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17(19-23)9-7-13-6-8-15-12-20(18(22)16(15)10-13)11-14-4-2-1-3-5-14/h1-10,23H,11-12H2,(H,19,21)/b9-7+
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n/an/a 220n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216517
PNG
(3-(2-biphenyl-4-ylmethyl-3-oxo-2,3-dihydro-1H-isoi...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H20N2O3/c27-23(25-29)13-9-17-6-12-21-16-26(24(28)22(21)14-17)15-18-7-10-20(11-8-18)19-4-2-1-3-5-19/h1-14,29H,15-16H2,(H,25,27)/b13-9+
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n/an/a 220n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50216515
PNG
(3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylam...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17(19-23)9-7-13-6-8-15-12-20(18(22)16(15)10-13)11-14-4-2-1-3-5-14/h1-10,23H,11-12H2,(H,19,21)/b9-7+
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n/an/a 230n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216519
PNG
(3-(2-(4-tert-butylbenzyl)-3-oxoisoindolin-5-yl)-N-...)
Show SMILES CC(C)(C)c1ccc(CN2Cc3ccc(\C=C\C(=O)NO)cc3C2=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)18-9-5-16(6-10-18)13-24-14-17-8-4-15(7-11-20(25)23-27)12-19(17)21(24)26/h4-12,27H,13-14H2,1-3H3,(H,23,25)/b11-7+
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n/an/a 230n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216515
PNG
(3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylam...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17(19-23)9-7-13-6-8-15-12-20(18(22)16(15)10-13)11-14-4-2-1-3-5-14/h1-10,23H,11-12H2,(H,19,21)/b9-7+
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n/an/a 250n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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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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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50216518
PNG
(3-(2-(4-(pyridin-3-yl)benzyl)-3-oxoisoindolin-5-yl...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3cccnc3)C(=O)c2c1
Show InChI InChI=1S/C23H19N3O3/c27-22(25-29)10-6-16-3-9-20-15-26(23(28)21(20)12-16)14-17-4-7-18(8-5-17)19-2-1-11-24-13-19/h1-13,29H,14-15H2,(H,25,27)/b10-6+
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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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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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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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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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50216517
PNG
(3-(2-biphenyl-4-ylmethyl-3-oxo-2,3-dihydro-1H-isoi...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H20N2O3/c27-23(25-29)13-9-17-6-12-21-16-26(24(28)22(21)14-17)15-18-7-10-20(11-8-18)19-4-2-1-3-5-19/h1-14,29H,15-16H2,(H,25,27)/b13-9+
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n/an/a 750n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50216519
PNG
(3-(2-(4-tert-butylbenzyl)-3-oxoisoindolin-5-yl)-N-...)
Show SMILES CC(C)(C)c1ccc(CN2Cc3ccc(\C=C\C(=O)NO)cc3C2=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)18-9-5-16(6-10-18)13-24-14-17-8-4-15(7-11-20(25)23-27)12-19(17)21(24)26/h4-12,27H,13-14H2,1-3H3,(H,23,25)/b11-7+
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n/an/a 990n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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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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))
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))
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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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))
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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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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50216516
PNG
(3-(2-(4-(pyridin-4-yl)benzyl)-3-oxoisoindolin-5-yl...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccc(cc3)-c3ccncc3)C(=O)c2c1
Show InChI InChI=1S/C23H19N3O3/c27-22(25-29)8-4-16-1-7-20-15-26(23(28)21(20)13-16)14-17-2-5-18(6-3-17)19-9-11-24-12-10-19/h1-13,29H,14-15H2,(H,25,27)/b8-4+
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n/an/a 2.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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
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