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Compile Data Set for Download or QSAR

Found 20 hits of kd for UniProtKB: Q93009   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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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n/an/an/a 42n/an/an/an/an/a


TBA

Assay Description
Binding affinity to USP7 (208 to 560 residues) (unknown origin) assessed as dissociation constant by biolayer interferometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112279
BindingDB Entry DOI: 10.7270/Q2KK9GFS
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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n/an/an/a 53n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50552092
PNG
(CHEMBL4762640)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(-c5ccc(CN)cc5)n(C)nc4c3=O)CC2)c(Cl)c1
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n/an/an/a 78n/an/an/an/an/a


TBA

Assay Description
Binding affinity to USP7 (208 to 560 residues) (unknown origin) assessed as dissociation constant by biolayer interferometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112279
BindingDB Entry DOI: 10.7270/Q2KK9GFS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602280
PNG
(CHEMBL5180062)
Show SMILES Cl.Cl.Cn1nc2c(ncn(CC3(O)CCN(Cc4ccc(cc4Cl)-c4ccco4)CC3)c2=O)c1-c1ccc(CN)cc1
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n/an/an/a 86n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602285
PNG
(CHEMBL5182862)
Show SMILES CNCc1ccc(cc1)-c1n(C)nc2c1ncn(CC1(O)CCN(Cc3ccc(cc3Cl)-c3ccco3)CC1)c2=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602291
PNG
(CHEMBL5200808)
Show SMILES Cl.Cl.Cn1nc2c(ncn(CC3(O)CCN(Cc4ccc(cc4Cl)-c4ccco4)CC3)c2=O)c1-c1ccc(CNCCO)cc1
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n/an/an/a 120n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602268
PNG
(CHEMBL5169772)
Show SMILES Cl.Cl.Cn1nc2c(ncn(CC3(O)CCN(Cc4ccc(cc4Cl)-c4ncon4)CC3)c2=O)c1-c1ccc(CN)cc1
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n/an/an/a 128n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602284
PNG
(CHEMBL4803149)
Show SMILES COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(-c5ccc(CN)cc5)n(C)nc4c3=O)CC2)c(Cl)c1
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n/an/an/a 148n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602301
PNG
(CHEMBL5186229)
Show SMILES Cn1nc2c(ncn(CC3(O)CCN(Cc4ccc(cc4Cl)-c4ccco4)CC3)c2=O)c1-c1ccc(F)cc1
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n/an/an/a 541n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50602293
PNG
(CHEMBL5171419)
Show SMILES Cn1nc2c(ncn(CC3(O)CCN(Cc4ccc(cc4Cl)-c4ccco4)CC3)c2=O)c1-c1ccc(CNC=O)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01444
BindingDB Entry DOI: 10.7270/Q2WW7NR1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50608416
PNG
(CHEMBL5269448)
Show SMILES OC1(Cn2cnc3n(ncc3c2=O)-c2ccc(F)cc2)CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1NS(=O)(=O)C=C
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n/an/an/a 7.80E+3n/an/an/an/an/a


TBA



Citation and Details
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/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))
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/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))
BDBM50567580
PNG
(CHEMBL4845880)
Show SMILES OC1N(CC2(O)CCN(CC2)C(=O)CCc2ccccc2)C=Nc2cc(NCCN3CCCC3)ccc12 |c:23|
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n/an/an/a 7.70E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant USP7 (208 to 560 residues) (unknown origin) assessed as dissociation constant by biolayer interferometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113291
BindingDB Entry DOI: 10.7270/Q2QZ2FRS
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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n/an/an/a 4.71E+5n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50465215
PNG
(CHEMBL2432028)
Show SMILES O=c1[nH]cnc2sccc12
Show InChI InChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
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n/an/an/a 4.71E+5n/an/an/an/an/a



Almac Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged USP7 catalytic domain (213 to 548 residues) expressed in baculovirus infected Sf21 insec...


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))
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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n/an/an/a 4.71E+5n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50560581
PNG
(CHEMBL4792948)
Show SMILES CC(=O)Nc1nc2ccccn2c1-c1ccc(O)cc1
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n/an/an/a 5.40E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to USP7 (unknown origin) by T2 relaxation experiment based analysis


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127471
BindingDB Entry DOI: 10.7270/Q20P13R0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50560581
PNG
(CHEMBL4792948)
Show SMILES CC(=O)Nc1nc2ccccn2c1-c1ccc(O)cc1
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n/an/an/a 5.80E+5n/an/an/an/an/a


TBA

Assay Description
Allosteric binding affinity to USP7 catalytic domain (unknown origin) at Met328 residues by NMR-15N-1H TROSY spectral titration analysis


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127471
BindingDB Entry DOI: 10.7270/Q20P13R0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50560581
PNG
(CHEMBL4792948)
Show SMILES CC(=O)Nc1nc2ccccn2c1-c1ccc(O)cc1
PDB
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n/an/an/a 6.80E+5n/an/an/an/an/a


TBA

Assay Description
Allosteric binding affinity to USP7 catalytic domain (unknown origin) at Met328, Trp285, Gly284, Gln405 and Gly313 residues by NMR-15N-1H TROSY spect...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127471
BindingDB Entry DOI: 10.7270/Q20P13R0
More data for this
Ligand-Target Pair