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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'barker' and Initial = 'o'   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465231
PNG
(CHEMBL4288150 | US10766903, Example 30)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N6O3/c1-20(22-6-4-3-5-7-22)16-24(36)34-14-12-29(38,13-15-34)18-35-19-31-25-26(28(35)37)32-33(2)27(25)23-10-8-21(17-30)9-11-23/h3-11,19-20,38H,12-18,30H2,1-2H3/t20-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465234
PNG
(CHEMBL4283787 | US10766903, Example 46)
Show SMILES Cn1nc2c(ncn(CC3(O)CCN(CC3)C(=O)C[C@H](c3ccccc3)C(F)(F)F)c2=O)c1-c1ccc(CN)cc1 |r|
Show InChI InChI=1S/C29H31F3N6O3/c1-36-26(21-9-7-19(16-33)8-10-21)24-25(35-36)27(40)38(18-34-24)17-28(41)11-13-37(14-12-28)23(39)15-22(29(30,31)32)20-5-3-2-4-6-20/h2-10,18,22,41H,11-17,33H2,1H3/t22-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465202
PNG
(CHEMBL4290015 | US10766903, Example 29)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4cccc(N)c4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H32N6O3/c1-19(20-7-4-3-5-8-20)15-23(35)33-13-11-28(37,12-14-33)17-34-18-30-24-25(27(34)36)31-32(2)26(24)21-9-6-10-22(29)16-21/h3-10,16,18-19,37H,11-15,17,29H2,1-2H3/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465229
PNG
(CHEMBL4283226 | US10766903, Example 27)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H31N5O3/c1-20(21-9-5-3-6-10-21)17-23(34)32-15-13-28(36,14-16-32)18-33-19-29-24-25(27(33)35)30-31(2)26(24)22-11-7-4-8-12-22/h3-12,19-20,36H,13-18H2,1-2H3/t20-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465203
PNG
(CHEMBL4281720 | US10766903, Example 28)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4cccc(c4)C(N)=O)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H32N6O4/c1-19(20-7-4-3-5-8-20)15-23(36)34-13-11-29(39,12-14-34)17-35-18-31-24-25(28(35)38)32-33(2)26(24)21-9-6-10-22(16-21)27(30)37/h3-10,16,18-19,39H,11-15,17H2,1-2H3,(H2,30,37)/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465236
PNG
(CHEMBL4291074 | US10766903, Example 25)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccn[nH]4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N7O3/c1-17(18-6-4-3-5-7-18)14-20(33)31-12-9-25(35,10-13-31)15-32-16-26-21-22(24(32)34)29-30(2)23(21)19-8-11-27-28-19/h3-8,11,16-17,35H,9-10,12-15H2,1-2H3,(H,27,28)/t17-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465230
PNG
(CHEMBL4289604 | US10766903, Example 104)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4cccc(O)c4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H31N5O4/c1-19(20-7-4-3-5-8-20)15-23(35)32-13-11-28(37,12-14-32)17-33-18-29-24-25(27(33)36)30-31(2)26(24)21-9-6-10-22(34)16-21/h3-10,16,18-19,34,37H,11-15,17H2,1-2H3/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465205
PNG
(CHEMBL4287721 | US10766903, Example 107)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CO)cc4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33N5O4/c1-20(22-6-4-3-5-7-22)16-24(36)33-14-12-29(38,13-15-33)18-34-19-30-25-26(28(34)37)31-32(2)27(25)23-10-8-21(17-35)9-11-23/h3-11,19-20,35,38H,12-18H2,1-2H3/t20-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465237
PNG
(CHEMBL4279817 | US10766903, Example 106)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(cc4)C(N)=O)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H32N6O4/c1-19(20-6-4-3-5-7-20)16-23(36)34-14-12-29(39,13-15-34)17-35-18-31-24-25(28(35)38)32-33(2)26(24)21-8-10-22(11-9-21)27(30)37/h3-11,18-19,39H,12-17H2,1-2H3,(H2,30,37)/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465195
PNG
(CHEMBL4294967)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4cccc(CN(C)C)c4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C31H38N6O3/c1-22(24-10-6-5-7-11-24)17-26(38)36-15-13-31(40,14-16-36)20-37-21-32-27-28(30(37)39)33-35(4)29(27)25-12-8-9-23(18-25)19-34(2)3/h5-12,18,21-22,40H,13-17,19-20H2,1-4H3/t22-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465213
PNG
(CHEMBL4294359 | US10766903, Example 11)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(NCCN3CCCC3)cc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37N5O3/c1-21(22-7-3-2-4-8-22)17-24(32)30-14-9-26(34,10-15-30)19-31-20-28-23(18-25(31)33)27-11-16-29-12-5-6-13-29/h2-4,7-8,18,20-21,27,34H,5-6,9-17,19H2,1H3/t21-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465200
PNG
(CHEMBL4282783 | US10766903, Example 97)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4F)n(C)nc3c2=O)CC1)c1ccccc1 |r,wD:1.0,(18.13,-20.03,;18.13,-18.49,;16.8,-17.72,;15.46,-18.49,;15.46,-20.03,;14.13,-17.72,;12.8,-18.48,;11.47,-17.72,;11.47,-16.18,;11.46,-14.64,;10.14,-15.41,;8.8,-16.19,;8.81,-17.73,;7.47,-18.5,;6.13,-17.73,;4.66,-18.21,;3.89,-19.54,;2.35,-19.53,;1.58,-20.86,;2.34,-22.2,;3.89,-22.2,;4.66,-20.87,;6.2,-20.87,;3.75,-16.96,;2.21,-16.96,;4.66,-15.7,;6.13,-16.18,;7.47,-15.42,;7.46,-13.88,;12.8,-15.4,;14.13,-16.18,;19.47,-17.73,;20.8,-18.5,;22.13,-17.73,;22.13,-16.19,;20.79,-15.42,;19.46,-16.19,)|
Show InChI InChI=1S/C28H30FN5O3/c1-19(20-8-4-3-5-9-20)16-23(35)33-14-12-28(37,13-15-33)17-34-18-30-24-25(27(34)36)31-32(2)26(24)21-10-6-7-11-22(21)29/h3-11,18-19,37H,12-17H2,1-2H3/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342212
PNG
(1-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(4-p...)
Show SMILES CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31)
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Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465210
PNG
(CHEMBL4290969 | US10766903, Example 6)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(NCCN(C)C)cc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H35N5O3/c1-19(20-7-5-4-6-8-20)15-22(30)28-12-9-24(32,10-13-28)17-29-18-26-21(16-23(29)31)25-11-14-27(2)3/h4-8,16,18-19,25,32H,9-15,17H2,1-3H3/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465198
PNG
(CHEMBL4279330 | US10766903, Example 98)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4cccc(c4)C#N)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H30N6O3/c1-20(22-8-4-3-5-9-22)15-24(36)34-13-11-29(38,12-14-34)18-35-19-31-25-26(28(35)37)32-33(2)27(25)23-10-6-7-21(16-23)17-30/h3-10,16,19-20,38H,11-15,18H2,1-2H3/t20-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465225
PNG
(CHEMBL4292475 | US10766903, Example 22)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(C#C)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-4-19-21-22(26-27(19)3)23(31)29(16-25-21)15-24(32)10-12-28(13-11-24)20(30)14-17(2)18-8-6-5-7-9-18/h1,5-9,16-17,32H,10-15H2,2-3H3/t17-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465204
PNG
(CHEMBL4284325 | US10766903, Example 108)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4cccc(CN5CCOCC5)c4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C33H40N6O4/c1-24(26-8-4-3-5-9-26)19-28(40)38-13-11-33(42,12-14-38)22-39-23-34-29-30(32(39)41)35-36(2)31(29)27-10-6-7-25(20-27)21-37-15-17-43-18-16-37/h3-10,20,23-24,42H,11-19,21-22H2,1-2H3/t24-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465224
PNG
(CHEMBL4285285 | US10766903, Example 21)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(Br)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H26BrN5O3/c1-15(16-6-4-3-5-7-16)12-17(29)27-10-8-22(31,9-11-27)13-28-14-24-18-19(21(28)30)25-26(2)20(18)23/h3-7,14-15,31H,8-13H2,1-2H3/t15-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465235
PNG
(CHEMBL4281848 | US10766903, Example 24)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(C#CC(C)(C)O)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4/c1-19(20-8-6-5-7-9-20)16-22(33)31-14-12-27(36,13-15-31)17-32-18-28-23-21(10-11-26(2,3)35)30(4)29-24(23)25(32)34/h5-9,18-19,35-36H,12-17H2,1-4H3/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465228
PNG
(CHEMBL4287739)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(Br)csc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H24BrN3O3S/c1-15(16-5-3-2-4-6-16)11-18(27)25-9-7-22(29,8-10-25)13-26-14-24-19-17(23)12-30-20(19)21(26)28/h2-6,12,14-15,29H,7-11,13H2,1H3/t15-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465242
PNG
(CHEMBL4294482 | US10766903, Example 32)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(C(C)=C)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N5O3/c1-17(2)23-21-22(27-28(23)4)24(32)30(16-26-21)15-25(33)10-12-29(13-11-25)20(31)14-18(3)19-8-6-5-7-9-19/h5-9,16,18,33H,1,10-15H2,2-4H3/t18-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465233
PNG
(CHEMBL4287543 | US10766903, Example 7)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(cc2=O)N(C)CCN(C)C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H37N5O3/c1-20(21-8-6-5-7-9-21)16-23(31)29-12-10-25(33,11-13-29)18-30-19-26-22(17-24(30)32)28(4)15-14-27(2)3/h5-9,17,19-20,33H,10-16,18H2,1-4H3/t20-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465199
PNG
(CHEMBL4286591 | US10766903, Example 33)
Show SMILES CC(C)c1n(C)nc2c1ncn(CC1(O)CCN(CC1)C(=O)C[C@@H](C)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C25H33N5O3/c1-17(2)23-21-22(27-28(23)4)24(32)30(16-26-21)15-25(33)10-12-29(13-11-25)20(31)14-18(3)19-8-6-5-7-9-19/h5-9,16-18,33H,10-15H2,1-4H3/t18-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465212
PNG
(CHEMBL4287139)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(NCCCN(C)C)cc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H37N5O3/c1-20(21-8-5-4-6-9-21)16-23(31)29-14-10-25(33,11-15-29)18-30-19-27-22(17-24(30)32)26-12-7-13-28(2)3/h4-6,8-9,17,19-20,26,33H,7,10-16,18H2,1-3H3/t20-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465201
PNG
(CHEMBL4284493 | US10766903, Example 99)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4N)n(C)nc3c2=O)CC1)c1ccccc1 |r,wD:1.0,(40.5,-20.09,;40.51,-18.55,;39.17,-17.78,;37.84,-18.54,;37.84,-20.08,;36.51,-17.77,;35.18,-18.53,;33.85,-17.77,;33.85,-16.23,;33.84,-14.69,;32.51,-15.47,;31.18,-16.24,;31.19,-17.78,;29.85,-18.56,;28.51,-17.78,;27.04,-18.26,;26.27,-19.6,;24.73,-19.59,;23.95,-20.92,;24.72,-22.26,;26.27,-22.26,;27.04,-20.92,;28.58,-20.92,;26.13,-17.01,;24.59,-17.01,;27.04,-15.76,;28.51,-16.24,;29.84,-15.48,;29.84,-13.94,;35.18,-15.45,;36.51,-16.23,;41.84,-17.78,;43.18,-18.56,;44.51,-17.79,;44.51,-16.25,;43.17,-15.48,;41.84,-16.25,)|
Show InChI InChI=1S/C28H32N6O3/c1-19(20-8-4-3-5-9-20)16-23(35)33-14-12-28(37,13-15-33)17-34-18-30-24-25(27(34)36)31-32(2)26(24)21-10-6-7-11-22(21)29/h3-11,18-19,37H,12-17,29H2,1-2H3/t19-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465211
PNG
(CHEMBL4292144)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(NCCN3CCOCC3)cc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37N5O4/c1-21(22-5-3-2-4-6-22)17-24(32)30-10-7-26(34,8-11-30)19-31-20-28-23(18-25(31)33)27-9-12-29-13-15-35-16-14-29/h2-6,18,20-21,27,34H,7-17,19H2,1H3/t21-/m1/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465232
PNG
(CHEMBL4280922 | US10766903, Example 4)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(Nc3ccccc3)cc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N4O3/c1-20(21-8-4-2-5-9-21)16-24(31)29-14-12-26(33,13-15-29)18-30-19-27-23(17-25(30)32)28-22-10-6-3-7-11-22/h2-11,17,19-20,28,33H,12-16,18H2,1H3/t20-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465214
PNG
(CHEMBL4286062)
Show SMILES C[C@@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N6O3/c1-20(22-6-4-3-5-7-22)16-24(36)34-14-12-29(38,13-15-34)18-35-19-31-25-26(28(35)37)32-33(2)27(25)23-10-8-21(17-30)9-11-23/h3-11,19-20,38H,12-18,30H2,1-2H3/t20-/m0/s1
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342213
PNG
(1-[1-(3-Diethylaminopropyl)-1H-indol-3-yl]-3-(6-ph...)
Show SMILES CCN(CC)CCCn1cc(NC(=O)Nc2cccc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H31N5O/c1-3-31(4-2)18-11-19-32-20-24(22-14-8-9-16-25(22)32)29-27(33)30-26-17-10-15-23(28-26)21-12-6-5-7-13-21/h5-10,12-17,20H,3-4,11,18-19H2,1-2H3,(H2,28,29,30,33)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465209
PNG
(CHEMBL4279391 | US10766903, Example 116)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(cc2=O)C#Cc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H29N3O3/c1-22(24-10-6-3-7-11-24)18-26(32)30-16-14-28(34,15-17-30)20-31-21-29-25(19-27(31)33)13-12-23-8-4-2-5-9-23/h2-11,19,21-22,34H,14-18,20H2,1H3/t22-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465207
PNG
(CHEMBL4291560)
Show SMILES CNc1cc(=O)n(CC2(O)CCN(CC2)C(=O)C[C@@H](C)c2ccccc2)cn1 |r|
Show InChI InChI=1S/C21H28N4O3/c1-16(17-6-4-3-5-7-17)12-19(26)24-10-8-21(28,9-11-24)14-25-15-23-18(22-2)13-20(25)27/h3-7,13,15-16,22,28H,8-12,14H2,1-2H3/t16-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342214
PNG
(1-[1-(3-Diethylaminopropyl)-1H-indol-3-yl]-3-(2-ph...)
Show SMILES CCN(CC)CCCn1cc(NC(=O)Nc2ccnc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H30N6O/c1-3-31(4-2)17-10-18-32-19-22(21-13-8-9-14-23(21)32)28-26(33)30-24-15-16-27-25(29-24)20-11-6-5-7-12-20/h5-9,11-16,19H,3-4,10,17-18H2,1-2H3,(H2,27,28,29,30,33)
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n/an/a 4.81E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465238
PNG
(CHEMBL4280334 | US10766903, Example 10)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc(OCCN(C)C)cc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O4/c1-19(20-7-5-4-6-8-20)15-22(29)27-11-9-24(31,10-12-27)17-28-18-25-21(16-23(28)30)32-14-13-26(2)3/h4-8,16,18-19,31H,9-15,17H2,1-3H3/t19-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465241
PNG
(CHEMBL4280723)
Show SMILES OC1(Cn2cnc3c(csc3c2=O)C#C)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c1-2-18-14-30-21-20(18)24-16-26(22(21)28)15-23(29)10-12-25(13-11-23)19(27)9-8-17-6-4-3-5-7-17/h1,3-7,14,16,29H,8-13,15H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342215
PNG
(1-[1-(3-Diethylaminopropyl)-1H-indol-3-yl]-3-(6-ph...)
Show SMILES CCN(CC)CCCn1cc(NC(=O)Nc2cncc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H30N6O/c1-3-31(4-2)15-10-16-32-19-23(21-13-8-9-14-24(21)32)29-26(33)30-25-18-27-17-22(28-25)20-11-6-5-7-12-20/h5-9,11-14,17-19H,3-4,10,15-16H2,1-2H3,(H2,28,29,30,33)
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n/an/a 8.07E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465223
PNG
(CHEMBL4288626)
Show SMILES OC1(Cn2cnc3c(csc3c2=O)-c2ccccc2)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C27H27N3O3S/c31-23(12-11-20-7-3-1-4-8-20)29-15-13-27(33,14-16-29)18-30-19-28-24-22(17-34-25(24)26(30)32)21-9-5-2-6-10-21/h1-10,17,19,33H,11-16,18H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465196
PNG
(CHEMBL4276901 | US10766903, Example 109)
Show SMILES COCCNc1cc(=O)n(CC2(O)CCN(CC2)C(=O)C[C@@H](C)c2ccccc2)cn1 |r|
Show InChI InChI=1S/C23H32N4O4/c1-18(19-6-4-3-5-7-19)14-21(28)26-11-8-23(30,9-12-26)16-27-17-25-20(15-22(27)29)24-10-13-31-2/h3-7,15,17-18,24,30H,8-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465222
PNG
(CHEMBL4284163)
Show SMILES OC1(Cn2cnc3c(Br)csc3c2=O)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H22BrN3O3S/c22-16-12-29-19-18(16)23-14-25(20(19)27)13-21(28)8-10-24(11-9-21)17(26)7-6-15-4-2-1-3-5-15/h1-5,12,14,28H,6-11,13H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465227
PNG
(CHEMBL4292042)
Show SMILES OC1(Cn2cnc3c(csc3c2=O)C2CC2)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C24H27N3O3S/c28-20(9-6-17-4-2-1-3-5-17)26-12-10-24(30,11-13-26)15-27-16-25-21-19(18-7-8-18)14-31-22(21)23(27)29/h1-5,14,16,18,30H,6-13,15H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465218
PNG
(CHEMBL4291148)
Show SMILES OC1(Cn2cnc3sccc3c2=O)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H23N3O3S/c25-18(7-6-16-4-2-1-3-5-16)23-11-9-21(27,10-12-23)14-24-15-22-19-17(20(24)26)8-13-28-19/h1-5,8,13,15,27H,6-7,9-12,14H2
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Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465206
PNG
(CHEMBL4277510 | US10766903, Example 67)
Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnccc2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-16(17-5-3-2-4-6-17)13-19(25)22-11-8-20(26,9-12-22)14-23-15-21-10-7-18(23)24/h2-7,10,15-16,26H,8-9,11-14H2,1H3/t16-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit beta


(Homo sapiens (Human))
BDBM50342212
PNG
(1-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(4-p...)
Show SMILES CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31)
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n/an/a 2.36E+4n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465216
PNG
(CHEMBL4282043)
Show SMILES Cn1ncc2c1ncn(CC1(O)CCN(CC1)C(=O)CCc1ccccc1)c2=O
Show InChI InChI=1S/C21H25N5O3/c1-24-19-17(13-23-24)20(28)26(15-22-19)14-21(29)9-11-25(12-10-21)18(27)8-7-16-5-3-2-4-6-16/h2-6,13,15,29H,7-12,14H2,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465221
PNG
(CHEMBL4276903)
Show SMILES OC1(Cn2cnc3scc(Br)c3c2=O)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H22BrN3O3S/c22-16-12-29-19-18(16)20(27)25(14-23-19)13-21(28)8-10-24(11-9-21)17(26)7-6-15-4-2-1-3-5-15/h1-5,12,14,28H,6-11,13H2
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n/an/a 3.40E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465239
PNG
(CHEMBL4284337 | US10766903, Example 38)
Show SMILES Cn1cc2ncn(CC3(O)CCN(CC3)C(=O)CCc3ccccc3)c(=O)c2n1
Show InChI InChI=1S/C21H25N5O3/c1-24-13-17-19(23-24)20(28)26(15-22-17)14-21(29)9-11-25(12-10-21)18(27)8-7-16-5-3-2-4-6-16/h2-6,13,15,29H,7-12,14H2,1H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465217
PNG
(CHEMBL4280518)
Show SMILES C[C@@H](CC(=O)N1CCC(O)(Cn2cnc3c(Br)csc3c2=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H24BrN3O3S/c1-15(16-5-3-2-4-6-16)11-18(27)25-9-7-22(29,8-10-25)13-26-14-24-19-17(23)12-30-20(19)21(26)28/h2-6,12,14-15,29H,7-11,13H2,1H3/t15-/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465220
PNG
(CHEMBL4287544)
Show SMILES OC1(Cn2cnc3cc(Br)sc3c2=O)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H22BrN3O3S/c22-17-12-16-19(29-17)20(27)25(14-23-16)13-21(28)8-10-24(11-9-21)18(26)7-6-15-4-2-1-3-5-15/h1-5,12,14,28H,6-11,13H2
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n/an/a 6.00E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465219
PNG
(CHEMBL4288834)
Show SMILES OC1(Cn2cnc3ccsc3c2=O)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H23N3O3S/c25-18(7-6-16-4-2-1-3-5-16)23-11-9-21(27,10-12-23)14-24-15-22-17-8-13-28-19(17)20(24)26/h1-5,8,13,15,27H,6-7,9-12,14H2
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n/an/a 7.80E+4n/an/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by biochemical assay


ACS Med Chem Lett 9: 238-243 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00512
BindingDB Entry DOI: 10.7270/Q2Q81GRX
More data for this
Ligand-Target Pair
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