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PubMed code 25364867

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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))
BDBM50069768
PNG
(CHEMBL3407548)
Show SMILES Clc1ccc2C(=O)c3nc(C#N)c(nc3-c2c1)C#N
Show InChI InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H
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n/an/a 420n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM50069763
PNG
(CHEMBL3407552)
Show SMILES O=C1c2nc(oc2C(=O)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C17H9NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9H
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n/an/a 544n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 10


(Homo sapiens (Human))
BDBM50069761
PNG
(CHEMBL2391504)
Show SMILES Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 600n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP10 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 13


(Homo sapiens (Human))
BDBM50069761
PNG
(CHEMBL2391504)
Show SMILES Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 600n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP13 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM50069764
PNG
(CHEMBL3407501)
Show SMILES Fc1ccc(cc1)-c1nc2c(o1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C17H8FNO3/c18-10-7-5-9(6-8-10)17-19-13-14(20)11-3-1-2-4-12(11)15(21)16(13)22-17/h1-8H
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n/an/a 888n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) assessed as reduction in K63-linked diUb cleavage by gel electrophoresis based orthogonal diUb cleavage assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 14


(Homo sapiens (Human))
BDBM50437694
PNG
(CHEMBL1410015)
Show SMILES Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP14 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM50099491
PNG
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) assessed as reduction in K63-linked diUb cleavage by gel electrophoresis based orthogonal diUb cleavage assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50069766
PNG
(CHEMBL3407550)
Show SMILES CCN(CCCNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H30ClN3O/c1-2-30(18-19-9-4-3-5-10-19)16-8-15-28-26(31)20-13-14-22-24(17-20)29-23-12-7-6-11-21(23)25(22)27/h3-5,9-10,13-14,17H,2,6-8,11-12,15-16,18H2,1H3,(H,28,31)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human USP7 by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50069767
PNG
(CHEMBL3407549)
Show SMILES CN(CCCNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-21-23(16-19)28-22-11-6-5-10-20(22)24(21)26/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human USP7 by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) by Ub-Rho110 assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393437
PNG
(CHEMBL2159495)
Show SMILES CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
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n/an/an/an/a 8.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by Ub-CHOP reporter assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393440
PNG
(CHEMBL2159498)
Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
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n/an/an/an/a 4.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by Ub-CHOP reporter assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50069765
PNG
(CHEMBL3407551)
Show SMILES OCCc1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H9Cl2NO3S2/c13-8-2-1-3-10(11(8)14)20-12-9(15(17)18)6-7(19-12)4-5-16/h1-3,6,16H,4-5H2
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n/an/an/an/a 2.01E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in multiple myeloma cells (unknown origin) by immunohistochemistry


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393437
PNG
(CHEMBL2159495)
Show SMILES CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
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n/an/an/an/a 4.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 in multiple myeloma cells (unknown origin) by immunohistochemistry


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%