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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50017816   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605126
PNG
(CHEMBL5187340)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCC2CCNCC2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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UniChem
Article
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0.00200n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605132
PNG
(CHEMBL5171665)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNS(=O)(=O)c2ccccc2C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605125
PNG
(CHEMBL5197279)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2cnc[nH]2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605123
PNG
(CHEMBL5181559)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccncc2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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MCE
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UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605114
PNG
(CHEMBL5173513)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccccc2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605147
PNG
(CHEMBL5169689)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccncc2)([C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1)C(O)=O |r|
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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605124
PNG
(CHEMBL5196069)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2cnn(C)c2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605116
PNG
(CHEMBL5181296)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2cccc(O)c2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605102
PNG
(CHEMBL5196857)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605117
PNG
(CHEMBL5205792)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccc(O)cc2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605134
PNG
(CHEMBL5207803)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNS(=O)(=O)c2ccc(cc2)C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605146
PNG
(CHEMBL5179430)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccncc2)([C@H]1c1cccc(Cl)c1Cl)c1ccc(Cl)cc1F)C(O)=O |r|
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1.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605111
PNG
(CHEMBL5173985)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC(=O)C2CC2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605120
PNG
(CHEMBL5185334)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccc(cc2)C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605127
PNG
(CHEMBL5185988)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCC2CCOCC2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605121
PNG
(CHEMBL5176086)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccccn2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605106
PNG
(CHEMBL5199459)
Show SMILES CCNC[C@@]1([C@H](CC(C)(C)C)N[C@H]([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1OC)C(O)=O)c1ccc(Cl)cc1F |r|
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2.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605130
PNG
(CHEMBL5195734)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC(=O)c2ccccc2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605113
PNG
(CHEMBL5183808)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNS(=O)(=O)CC(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605119
PNG
(CHEMBL5190459)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2cccc(c2)C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605118
PNG
(CHEMBL5200925)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccccc2C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605110
PNG
(CHEMBL5186698)
Show SMILES CCC(=O)NC[C@@]1([C@H](CC(C)(C)C)N[C@H]([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1OC)C(O)=O)c1ccc(Cl)cc1F |r|
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2.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605109
PNG
(CHEMBL5194615)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC(C)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605122
PNG
(CHEMBL5188708)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2cccnc2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605115
PNG
(CHEMBL5191798)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccccc2O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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2.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605129
PNG
(CHEMBL5196353)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC2CCOCC2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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3.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605133
PNG
(CHEMBL5186741)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNS(=O)(=O)c2cccc(c2)C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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3.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605139
PNG
(CHEMBL5184577)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNc1cccc(c1)C(O)=O)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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3.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605108
PNG
(CHEMBL5204732)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCC(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605137
PNG
(CHEMBL5183859)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNc1ccc(CC(O)=O)cc1)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605112
PNG
(CHEMBL5181817)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC(=O)C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605138
PNG
(CHEMBL5170763)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNc1ccc(O)nc1)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605128
PNG
(CHEMBL5179684)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC2CCN(C)CC2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605107
PNG
(CHEMBL5194658)
Show SMILES CCCNC[C@@]1([C@H](CC(C)(C)C)N[C@H]([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1OC)C(O)=O)c1ccc(Cl)cc1F |r|
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5.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605140
PNG
(CHEMBL5203433)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNc1cccnc1)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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6n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605131
PNG
(CHEMBL5206418)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNC(=O)c2ccc(cc2)C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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6.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605105
PNG
(CHEMBL5200857)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
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6.5n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605145
PNG
(CHEMBL5187542)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccncc2)([C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1F)C(O)=O |r|
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9.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605144
PNG
(CHEMBL5185313)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccncc2)([C@H]1c1ccccc1Cl)c1ccc(Cl)cc1F)C(O)=O |r|
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605143
PNG
(CHEMBL5198421)
Show SMILES CNC[C@@]1([C@H](CC(C)(C)C)N[C@H]([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(Cl)cc1F |r|
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19n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605141
PNG
(CHEMBL5197590)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CN[C@H]1CC[C@H](O)CC1)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r,wU:17.19,8.8,5.4,23.25,wD:20.21,7.38,(1.08,-6.42,;1.08,-4.88,;2.42,-4.11,;2.42,-5.65,;-.25,-4.11,;-.25,-2.57,;.99,-1.66,;.52,-.2,;-1.02,-.2,;-2.56,2.47,;-4.11,2.47,;-4.87,3.81,;-4.1,5.13,;-2.56,5.13,;-1.79,6.46,;-1.79,3.8,;-.25,3.8,;-1.5,-1.66,;-1.78,-3.18,;-1.78,-4.72,;-3.11,-5.49,;-4.45,-4.72,;-5.78,-5.49,;-5.78,-7.03,;-7.11,-7.8,;-4.45,-7.8,;-3.11,-7.03,;-2.98,-2.06,;-3.38,-3.55,;-4.87,-3.95,;-5.96,-2.86,;-7.44,-3.26,;-5.56,-1.38,;-4.08,-.97,;-3.68,.52,;1.29,1.13,;.52,2.47,;2.83,1.13,;3.6,2.47,;5.14,2.47,;5.9,3.8,;5.13,5.13,;3.6,5.13,;2.82,3.81,;5.9,6.47,;7.44,6.47,;5.13,7.8,)|
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34n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605136
PNG
(CHEMBL5206008)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNCc1ccc(cc1)C(O)=O)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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48n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605148
PNG
(CHEMBL5180266)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2ccncc2)([C@H]1c1cccc(Cl)c1F)c1cc(Cl)ccc1F)C(O)=O |r|
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54n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605135
PNG
(CHEMBL5180602)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNS(=O)(=O)c1cccc(c1)C(O)=O)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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2.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605142
PNG
(CHEMBL5201050)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CNCCO)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
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5.02E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605104
PNG
(CHEMBL5180980)
Show SMILES C[C@@H](c1ccc(Cl)cc1Cl)n1cnc(c1-c1c([nH]c2cc(Cl)ccc12)C(=O)Nc1cc(ccc1N1CCC(CC1)N1CCCOC1=O)C(O)=O)-c1ccccc1 |r,wU:1.0,(-6.38,.63,;-5.61,1.97,;-6.38,3.3,;-7.92,3.3,;-8.68,4.63,;-7.91,5.97,;-8.68,7.3,;-6.38,5.97,;-5.6,4.64,;-4.06,4.64,;-4.07,1.97,;-3.23,3.26,;-1.74,2.86,;-1.66,1.32,;-3.1,.77,;-3.5,-.72,;-2.59,-1.96,;-3.5,-3.21,;-4.96,-2.73,;-6.29,-3.5,;-7.62,-2.74,;-8.96,-3.51,;-7.62,-1.19,;-6.29,-.42,;-4.96,-1.19,;-1.05,-1.96,;-.28,-.63,;-.28,-3.3,;-1.05,-4.63,;-2.6,-4.63,;-3.36,-5.97,;-2.59,-7.29,;-1.05,-7.29,;-.28,-5.96,;1.26,-5.96,;2.03,-4.63,;3.57,-4.63,;4.34,-5.96,;3.57,-7.3,;2.03,-7.3,;5.88,-5.96,;6.65,-7.3,;8.19,-7.3,;8.96,-5.96,;8.19,-4.63,;6.65,-4.63,;5.88,-3.3,;-4.9,-5.97,;-5.67,-4.63,;-5.67,-7.3,;-.17,1.72,;.22,3.21,;1.71,3.61,;2.8,2.52,;2.4,1.03,;.92,.63,)|
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n/an/a<0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129823
PNG
(US8815926, 102)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1 |r|
Show InChI InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237739
PNG
(CHEMBL4091801)
Show SMILES CCN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O |r|
Show InChI InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
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