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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'di lello' and Initial = 'p'   
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
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250945
PNG
(CHEMBL4070982)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C20H18N4O/c1-2-16-17(13-3-4-14-10-23-24-18(14)9-13)11-22-20(21)19(16)12-5-7-15(25)8-6-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
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n/an/a 480n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250950
PNG
(CHEMBL4090799)
Show SMILES CCc1c(cnc(N)c1-c1ccc2[nH]ncc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O/c1-2-16-17(12-3-6-15(25)7-4-12)11-22-20(21)19(16)13-5-8-18-14(9-13)10-23-24-18/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
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n/an/a 610n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250963
PNG
(CHEMBL4076247)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
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n/an/a 750n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217361
PNG
(Pep2-2 | TVFTSWEEYLLWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O |r|
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n/an/a 760n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250947
PNG
(CHEMBL4092976)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(nc1)C(=O)NC
Show InChI InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of native full length C-terminal USP7 (unknown origin) using ubiquitin-Rho110 as substrate pre-incubated for 1 hr followed by substrate ad...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217366
PNG
(Pep2-8 | TVFTSWEEYLDWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O |r|
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n/an/a 1.40E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250944
PNG
(CHEMBL4097329)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H17N3O/c1-2-17-18(15-5-3-4-13(10-15)11-21)12-23-20(22)19(17)14-6-8-16(24)9-7-14/h3-10,12,24H,2H2,1H3,(H2,22,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250940
PNG
(CHEMBL4074910)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O2/c1-2-16-17(12-3-7-14(22)8-4-12)11-21-19(20)18(16)13-5-9-15(23)10-6-13/h3-11,22-23H,2H2,1H3,(H2,20,21)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217362
PNG
(Pep2-2ΔT1 | VFTSWEEYLLWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O |r|
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n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250952
PNG
(CHEMBL4065700)
Show SMILES CCc1c(cnc(N)c1-c1cccc(c1)C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C20H17N3O/c1-2-17-18(14-6-8-16(24)9-7-14)12-23-20(22)19(17)15-5-3-4-13(10-15)11-21/h3-10,12,24H,2H2,1H3,(H2,22,23)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217363
PNG
(Pep2-2ΔV13 | TVFTSWEEYLLW)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 6.20E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250962
PNG
(CHEMBL4101600)
Show SMILES Cc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N2O2/c1-11-16(12-2-6-14(21)7-3-12)10-20-18(19)17(11)13-4-8-15(22)9-5-13/h2-10,21-22H,1H3,(H2,19,20)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250951
PNG
(CHEMBL4063215)
Show SMILES Nc1nc(N)c(cc1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H15N3O2/c18-16-14(10-1-5-12(21)6-2-10)9-15(17(19)20-16)11-3-7-13(22)8-4-11/h1-9,21-22H,(H4,18,19,20)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of native full length C-terminal USP7 (unknown origin) using ubiquitin-Rho110 as substrate pre-incubated for 1 hr followed by substrate ad...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250943
PNG
(CHEMBL4102930)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O/c1-2-16-17(13-6-4-3-5-7-13)12-21-19(20)18(16)14-8-10-15(22)11-9-14/h3-12,22H,2H2,1H3,(H2,20,21)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217364
PNG
(Pep2-2ΔW12,V13 | TVFTSWEEYLL)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(N)=O |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250960
PNG
(CHEMBL4100447)
Show SMILES Nc1ncc(cc1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14N2O2/c18-17-16(12-3-7-15(21)8-4-12)9-13(10-19-17)11-1-5-14(20)6-2-11/h1-10,20-21H,(H2,18,19)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250941
PNG
(CHEMBL4081422)
Show SMILES CCCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O2/c1-2-3-17-18(13-4-8-15(23)9-5-13)12-22-20(21)19(17)14-6-10-16(24)11-7-14/h4-12,23-24H,2-3H2,1H3,(H2,21,22)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250967
PNG
(CHEMBL4061087 | US10688093, Compound 382_7249_0081...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H17N3O2/c1-12(23)22-16-4-2-3-14(9-16)15-10-18(19(20)21-11-15)13-5-7-17(24)8-6-13/h2-11,24H,1H3,(H2,20,21)(H,22,23)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217365
PNG
(Pep2-2ΔL11-V13 | TVFTSWEEYL)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(N)=O |r|
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n/an/a 1.76E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250958
PNG
(CHEMBL4079672)
Show SMILES Oc1ccc(-c2ncc(o2)C2CCNCC2)c(F)c1
Show InChI InChI=1S/C14H15FN2O2/c15-12-7-10(18)1-2-11(12)14-17-8-13(19-14)9-3-5-16-6-4-9/h1-2,7-9,16,18H,3-6H2
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n/an/a 1.84E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250942
PNG
(CHEMBL4076471)
Show SMILES CC(C)c1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O2/c1-12(2)18-17(13-3-7-15(23)8-4-13)11-22-20(21)19(18)14-5-9-16(24)10-6-14/h3-12,23-24H,1-2H3,(H2,21,22)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250949
PNG
(CHEMBL4081911)
Show SMILES CCc1c(cnc(N)c1-c1ccccc1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O/c1-2-16-17(13-8-10-15(22)11-9-13)12-21-19(20)18(16)14-6-4-3-5-7-14/h3-12,22H,2H2,1H3,(H2,20,21)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250957
PNG
(CHEMBL4098430)
Show SMILES Oc1ccc(cc1)-c1ncc(o1)C1CCNCC1
Show InChI InChI=1S/C14H16N2O2/c17-12-3-1-11(2-4-12)14-16-9-13(18-14)10-5-7-15-8-6-10/h1-4,9-10,15,17H,5-8H2
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n/an/a 3.28E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250959
PNG
(CHEMBL4091535)
Show SMILES Nc1ncc(cc1-c1ccc(O)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H13ClN2O/c18-16-4-2-1-3-14(16)12-9-15(17(19)20-10-12)11-5-7-13(21)8-6-11/h1-10,21H,(H2,19,20)
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n/an/a 3.32E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))		BDBM217360
PNG
(Pep2 | VVFTSWQDYLFWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O |r|
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n/an/a 3.77E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...

J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250961
PNG
(CHEMBL68661 | SCH-21418)
Show SMILES Oc1ccc(cc1)-c1cncc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H13NO2/c19-16-5-1-12(2-6-16)14-9-15(11-18-10-14)13-3-7-17(20)8-4-13/h1-11,19-20H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250948
PNG
(CHEMBL4099910)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2cn(C)nc2c1
Show InChI InChI=1S/C21H20N4O/c1-3-17-18(14-4-5-15-12-25(2)24-19(15)10-14)11-23-21(22)20(17)13-6-8-16(26)9-7-13/h4-12,26H,3H2,1-2H3,(H2,22,23)
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n/an/a>6.33E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of native full length C-terminal USP7 (unknown origin) using ubiquitin-Rho110 as substrate pre-incubated for 1 hr followed by substrate ad...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250965
PNG
(CHEMBL4069137)
Show SMILES CN1CCC(CC1)c1noc(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3
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n/an/a 7.92E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of native full length C-terminal USP7 (unknown origin) using ubiquitin-Rho110 as substrate pre-incubated for 1 hr followed by substrate ad...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250966
PNG
(CHEMBL4064074)
Show SMILES Oc1ccc(cc1)-c1nc(co1)C1CCNCC1
Show InChI InChI=1S/C14H16N2O2/c17-12-3-1-11(2-4-12)14-16-13(9-18-14)10-5-7-15-8-6-10/h1-4,9-10,15,17H,5-8H2
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n/an/a 8.52E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250953
PNG
(CHEMBL4097744)
Show SMILES Oc1ccc(cc1)-c1nc(no1)C1CCNCC1
Show InChI InChI=1S/C13H15N3O2/c17-11-3-1-10(2-4-11)13-15-12(16-18-13)9-5-7-14-8-6-9/h1-4,9,14,17H,5-8H2
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n/an/a 9.77E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of native full length C-terminal USP7 (unknown origin) using ubiquitin-Rho110 as substrate pre-incubated for 1 hr followed by substrate ad...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250955
PNG
(CHEMBL4079712)
Show SMILES CN1CCC(C1)c1noc(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C13H15N3O2/c1-16-7-6-10(8-16)12-14-13(18-15-12)9-2-4-11(17)5-3-9/h2-5,10,17H,6-8H2,1H3
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n/an/a 1.31E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250956
PNG
(CHEMBL4085645)
Show SMILES Oc1ccc(cc1)-c1nc(no1)C1CCNC1
Show InChI InChI=1S/C12H13N3O2/c16-10-3-1-8(2-4-10)12-14-11(15-17-12)9-5-6-13-7-9/h1-4,9,13,16H,5-7H2
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n/an/a 1.32E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250964
PNG
(CHEMBL4084198)
Show SMILES Nc1ncc(-c2ccc(O)cc2)c(C#N)c1-c1ccc(O)cc1
Show InChI InChI=1S/C18H13N3O2/c19-9-15-16(11-1-5-13(22)6-2-11)10-21-18(20)17(15)12-3-7-14(23)8-4-12/h1-8,10,22-23H,(H2,20,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250954
PNG
(CHEMBL4090018)
Show SMILES Fc1cccc(OCC2CCNCC2)c1
Show InChI InChI=1S/C12H16FNO/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9H2
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n/an/a>2.00E+6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250951
PNG
(CHEMBL4063215)
Show SMILES Nc1nc(N)c(cc1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H15N3O2/c18-16-14(10-1-5-12(21)6-2-10)9-15(17(19)20-16)11-3-7-13(22)8-4-11/h1-9,21-22H,(H4,18,19,20)
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n/an/an/an/a 3.65E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250963
PNG
(CHEMBL4076247)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
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n/an/an/an/a 300n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250953
PNG
(CHEMBL4097744)
Show SMILES Oc1ccc(cc1)-c1nc(no1)C1CCNCC1
Show InChI InChI=1S/C13H15N3O2/c17-11-3-1-10(2-4-11)13-15-12(16-18-13)9-5-7-14-8-6-9/h1-4,9,14,17H,5-8H2
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n/an/an/a 1.20E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250947
PNG
(CHEMBL4092976)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(nc1)C(=O)NC
Show InChI InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
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n/an/an/an/a 2.58E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250965
PNG
(CHEMBL4069137)
Show SMILES CN1CCC(CC1)c1noc(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PDB
UniChem

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Article
PubMed
n/an/an/a 1.20E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250948
PNG
(CHEMBL4099910)
Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2cn(C)nc2c1
Show InChI InChI=1S/C21H20N4O/c1-3-17-18(14-4-5-15-12-25(2)24-19(15)10-14)11-23-21(22)20(17)13-6-8-16(26)9-7-13/h4-12,26H,3H2,1-2H3,(H2,22,23)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))		BDBM50250952
PNG
(CHEMBL4065700)
Show SMILES CCc1c(cnc(N)c1-c1cccc(c1)C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C20H17N3O/c1-2-17-18(14-6-8-16(24)9-7-14)12-23-20(22)19(17)15-5-3-4-13(10-15)11-21/h3-10,12,24H,2H2,1H3,(H2,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.75E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay

J Med Chem 60: 10056-10070 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01293
BindingDB Entry DOI: 10.7270/Q2QV3PX8
More data for this
Ligand-Target Pair