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Compile Data Set for Download or QSAR

Found 459 hits with Last Name = 'kamei' and Initial = 'n'   
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))		BDBM50032547
PNG
(CHEMBL3354181)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H27N5O2S/c1-2-27-21(28)20-19(25-22(27)24-16-5-3-4-6-16)17(14-30-20)15-7-8-18(23-13-15)26-9-11-29-12-10-26/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
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))		BDBM50068286
PNG
(CHEMBL3403373)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)c1ncccc1C
Show InChI InChI=1S/C22H27N5O2S/c1-5-27-21(29)19-18(25-22(27)24-13(2)3)16(12-30-19)15-8-10-26(11-15)20(28)17-14(4)7-6-9-23-17/h6-7,9,12-13,15H,5,8,10-11H2,1-4H3,(H,24,25)
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n/an/a 1.40n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


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



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 2n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
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))		BDBM50032540
PNG
(CHEMBL3354179)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1cccnc1
Show InChI InChI=1S/C18H20N4OS/c1-2-22-17(23)16-15(21-18(22)20-13-7-3-4-8-13)14(11-24-16)12-6-5-9-19-10-12/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
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n/an/a 2n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146477
PNG
(CHEMBL99045 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


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



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


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



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146475
PNG
(CHEMBL98202 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#16]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O5S2/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-33-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-34-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146480
PNG
(CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)|
Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146473
PNG
(2,2-Dimethyl-propionic acid 4-{2-(formyl-hydroxy-a...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#8]-[#6](=O)C([#6])([#6])[#6])-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C31H37N3O7S/c1-22-17-24(28-7-5-6-8-29(28)32-22)19-40-26-9-11-27(12-10-26)42(38,39)20-25(34(37)21-35)18-23-13-15-33(16-14-23)41-30(36)31(2,3)4/h5-12,17-18,21,25,37H,13-16,19-20H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


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



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146468
PNG
(CHEMBL98852 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2/[#6]-[#6]-[#6](=O)-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C27H28N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-15,18,22,32H,6-9,16-17H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
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))		BDBM50032600
PNG
(CHEMBL3354171)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)C#Cc1cccnc1
Show InChI InChI=1S/C20H20N4OS/c1-2-24-19(25)18-17(23-20(24)22-16-7-3-4-8-16)15(13-26-18)10-9-14-6-5-11-21-12-14/h5-6,11-13,16H,2-4,7-8H2,1H3,(H,22,23)
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n/an/a 4.20n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068277
PNG
(CHEMBL3403358)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)-c1cccnc1
Show InChI InChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19)
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n/an/a 4.40n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146467
PNG
(CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068261
PNG
(CHEMBL3403361)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)-c1ccnc(OC)c1
Show InChI InChI=1S/C17H20N4O2S/c1-5-21-16(22)15-14(20-17(21)19-10(2)3)12(9-24-15)11-6-7-18-13(8-11)23-4/h6-10H,5H2,1-4H3,(H,19,20)
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n/an/a 4.60n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032529
PNG
(CHEMBL3354178)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C21H23N3O3S/c1-3-24-19(25)18-17(23-21(24)22-15-6-4-5-7-15)16(12-28-18)13-8-10-14(11-9-13)20(26)27-2/h8-12,15H,3-7H2,1-2H3,(H,22,23)
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n/an/a 4.90n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032471
PNG
(CHEMBL3354177)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1cccc(c1)C(=O)OC
Show InChI InChI=1S/C21H23N3O3S/c1-3-24-19(25)18-17(23-21(24)22-15-9-4-5-10-15)16(12-28-18)13-7-6-8-14(11-13)20(26)27-2/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068256
PNG
(CHEMBL3403367)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCCN(C1)C(C)=O
Show InChI InChI=1S/C18H26N4O2S/c1-5-22-17(24)16-15(20-18(22)19-11(2)3)14(10-25-16)13-7-6-8-21(9-13)12(4)23/h10-11,13H,5-9H2,1-4H3,(H,19,20)
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n/an/a 5.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032607
PNG
(CHEMBL3354175)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H21N3OS/c1-2-22-18(23)17-16(21-19(22)20-14-10-6-7-11-14)15(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21)
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n/an/a 5.60n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146472
PNG
(CHEMBL318252 | N-Hydroxy-N-{1-(1-isobutyl-piperidi...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](-[#6]S(=O)(=O)c1ccc(-[#8]-[#6]-c2cc(-[#6])nc3ccccc23)cc1)-[#7](-[#8])-[#6]=O
Show InChI InChI=1S/C30H37N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16-17,21-22,26,35H,12-15,18-20H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068282
PNG
(CHEMBL3403360)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)-c1sc(C)nc1C
Show InChI InChI=1S/C16H20N4OS2/c1-6-20-15(21)14-12(19-16(20)17-8(2)3)11(7-22-14)13-9(4)18-10(5)23-13/h7-8H,6H2,1-5H3,(H,17,19)
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n/an/a 6.40n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068254
PNG
(CHEMBL3403365)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C21H27N5OS/c1-4-26-20(27)19-18(24-21(26)23-14(2)3)16(13-28-19)15-8-11-25(12-9-15)17-7-5-6-10-22-17/h5-7,10,13-15H,4,8-9,11-12H2,1-3H3,(H,23,24)
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n/an/a 6.80n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032602
PNG
(CHEMBL3354173)
Show SMILES CCn1c(NC2CCCC2)nc2c(CCc3cccnc3)csc2c1=O
Show InChI InChI=1S/C20H24N4OS/c1-2-24-19(25)18-17(23-20(24)22-16-7-3-4-8-16)15(13-26-18)10-9-14-6-5-11-21-12-14/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,22,23)
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n/an/a 7.30n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068262
PNG
(CHEMBL3403362)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)-c1cncnc1
Show InChI InChI=1S/C15H17N5OS/c1-4-20-14(21)13-12(19-15(20)18-9(2)3)11(7-22-13)10-5-16-8-17-6-10/h5-9H,4H2,1-3H3,(H,18,19)
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n/an/a 7.60n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068260
PNG
(CHEMBL3403370)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)CC(C)C
Show InChI InChI=1S/C20H30N4O2S/c1-6-24-19(26)18-17(22-20(24)21-13(4)5)15(11-27-18)14-7-8-23(10-14)16(25)9-12(2)3/h11-14H,6-10H2,1-5H3,(H,21,22)
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n/an/a 8.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068259
PNG
(CHEMBL3403369)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(=O)C(C)C
Show InChI InChI=1S/C19H28N4O2S/c1-6-23-18(25)16-15(21-19(23)20-12(4)5)14(10-26-16)13-7-8-22(9-13)17(24)11(2)3/h10-13H,6-9H2,1-5H3,(H,20,21)
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n/an/a 8.40n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146479
PNG
(CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)|
Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068281
PNG
(CHEMBL3403359)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)-c1ccco1
Show InChI InChI=1S/C15H17N3O2S/c1-4-18-14(19)13-12(17-15(18)16-9(2)3)10(8-21-13)11-6-5-7-20-11/h5-9H,4H2,1-3H3,(H,16,17)
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n/an/a 12n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032550
PNG
(CHEMBL3354182)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)N1CCN(CC1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H31N5O4S/c1-5-26-19(29)18-17(24-20(26)23-14-8-6-7-9-14)15(13-32-18)27-11-10-25(12-16(27)28)21(30)31-22(2,3)4/h13-14H,5-12H2,1-4H3,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146478
PNG
(CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...)
Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146471
PNG
(CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50068257
PNG
(CHEMBL3403368)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(C1)C(C)=O
Show InChI InChI=1S/C17H24N4O2S/c1-5-21-16(23)15-14(19-17(21)18-10(2)3)13(9-24-15)12-6-7-20(8-12)11(4)22/h9-10,12H,5-8H2,1-4H3,(H,18,19)
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n/an/a 15n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032601
PNG
(CHEMBL3354172)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)C#CCN1CCOCC1
Show InChI InChI=1S/C20H26N4O2S/c1-2-24-19(25)18-17(22-20(24)21-16-7-3-4-8-16)15(14-27-18)6-5-9-23-10-12-26-13-11-23/h14,16H,2-4,7-13H2,1H3,(H,21,22)
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n/an/a 19n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
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))		BDBM50068255
PNG
(CHEMBL3403366)
Show SMILES CCn1c(NC(C)C)nc2c(csc2c1=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C18H26N4O2S/c1-5-22-17(24)16-15(20-18(22)19-11(2)3)14(10-25-16)13-6-8-21(9-7-13)12(4)23/h10-11,13H,5-9H2,1-4H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 1910-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.031
BindingDB Entry DOI: 10.7270/Q2NC62VM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146469
PNG
(CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50032590
PNG
(CHEMBL3354168)
Show SMILES CCn1c(NC2CCCC2)nc2c(C=C)csc2c1=O
Show InChI InChI=1S/C15H19N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h3,9,11H,1,4-8H2,2H3,(H,16,17)
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n/an/a 30n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


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

J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
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