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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'liu' and Initial = 'sj'   
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))
BDBM50569138
PNG
(CHEMBL4871070)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3cc(Cl)ccc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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240n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569140
PNG
(CHEMBL4863792)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3cc(Br)ccc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31197
PNG
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)
Show SMILES COc1ccc(C2=NC(C(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)
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280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569136
PNG
(CHEMBL4874111)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccc(F)cc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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490n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569137
PNG
(CHEMBL4860936)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccc(Cl)cc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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680n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569139
PNG
(CHEMBL4863780)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccc(Br)cc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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1.02E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569144
PNG
(CHEMBL4861981)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccc(F)cc2)c1[N+]([O-])=O |r|
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1.03E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569143
PNG
(CHEMBL4876458)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2cccc(F)c2)c1[N+]([O-])=O |r|
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1.14E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569158
PNG
(CHEMBL4856044)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccco2)c1[N+]([O-])=O |r|
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1.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569135
PNG
(CHEMBL4874952)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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1.28E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569159
PNG
(CHEMBL4870214)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2cccs2)c1[N+]([O-])=O |r|
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1.36E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569142
PNG
(CHEMBL4877534)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccc(C)cc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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1.42E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569152
PNG
(CHEMBL4859985)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccc(C)cc2)c1[N+]([O-])=O |r|
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1.49E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569149
PNG
(CHEMBL4877092)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccc(Br)cc2)c1[N+]([O-])=O |r|
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1.87E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569154
PNG
(CHEMBL4860559)
Show SMILES CC(C)c1ccc(cc1)[C@H]1[C@@H](N[C@]2([C@@H]1c1onc(C)c1[N+]([O-])=O)C(=O)Nc1ccccc21)C(F)(F)F |r|
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2.26E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569156
PNG
(CHEMBL4878727)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccc(Cl)c(Cl)c2)c1[N+]([O-])=O |r|
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2.36E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569146
PNG
(CHEMBL4870252)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccc(Cl)cc2)c1[N+]([O-])=O |r|
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2.77E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569148
PNG
(CHEMBL4848056)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2cccc(Br)c2)c1[N+]([O-])=O |r|
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2.78E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569141
PNG
(CHEMBL4878828)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccc(cc23)[N+]([O-])=O)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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3.68E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569157
PNG
(CHEMBL4855468)
Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](N[C@]2([C@@H]1c1onc(C)c1[N+]([O-])=O)C(=O)Nc1ccccc21)C(F)(F)F |r|
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3.68E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569164
PNG
(CHEMBL4874048)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)c2ccccc2)c2ccccc2)c1[N+]([O-])=O |r|
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6.33E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569150
PNG
(CHEMBL4859002)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccc(cc2)[N+]([O-])=O)c1[N+]([O-])=O |r|
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6.74E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569160
PNG
(CHEMBL4848654)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2cccc3ccccc23)c1[N+]([O-])=O |r|
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8.35E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569162
PNG
(CHEMBL4849387)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)N(CC=C)c3ccccc23)C(F)(F)F)c2ccccc2)c1[N+]([O-])=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569161
PNG
(CHEMBL4849608)
Show SMILES CN1C(=O)[C@@]2(N[C@H]([C@@H]([C@H]2c2onc(C)c2[N+]([O-])=O)c2ccccc2)C(F)(F)F)c2ccccc12 |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569145
PNG
(CHEMBL4864855)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccccc2Cl)c1[N+]([O-])=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569151
PNG
(CHEMBL4873310)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccccc2C)c1[N+]([O-])=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569147
PNG
(CHEMBL4860063)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2ccccc2Br)c1[N+]([O-])=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569163
PNG
(CHEMBL4874032)
Show SMILES CC(=O)N1C(=O)[C@@]2(N[C@H]([C@@H]([C@H]2c2onc(C)c2[N+]([O-])=O)c2ccccc2)C(F)(F)F)c2ccccc12 |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569155
PNG
(CHEMBL4869937)
Show SMILES Cc1noc([C@@H]2[C@H]([C@@H](N[C@@]22C(=O)Nc3ccccc23)C(F)(F)F)c2cc(Cl)ccc2Cl)c1[N+]([O-])=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50569153
PNG
(CHEMBL4852407)
Show SMILES COc1ccccc1[C@H]1[C@@H](N[C@]2([C@@H]1c1onc(C)c1[N+]([O-])=O)C(=O)Nc1ccccc21)C(F)(F)F |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113359
BindingDB Entry DOI: 10.7270/Q20005VW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296807
PNG
(5-ethyl-2-(2-(4-methylpiperazin-1-yl)pyridin-3-yl)...)
Show SMILES CCc1cccc2nc(oc(=O)c12)-c1cccnc1N1CCN(C)CC1
Show InChI InChI=1S/C20H22N4O2/c1-3-14-6-4-8-16-17(14)20(25)26-19(22-16)15-7-5-9-21-18(15)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3
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n/an/a 8.10n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296805
PNG
(5-ethyl-2-(2-(4-(1-methylpiperidin-4-yl)piperazin-...)
Show SMILES CCc1cccc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C25H31N5O2/c1-3-18-6-4-8-21-22(18)25(31)32-24(27-21)20-7-5-11-26-23(20)30-16-14-29(15-17-30)19-9-12-28(2)13-10-19/h4-8,11,19H,3,9-10,12-17H2,1-2H3
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n/an/a 8.5n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296806
PNG
(1-(3-(5-ethyl-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)py...)
Show SMILES CCc1cccc2nc(oc(=O)c12)-c1cccnc1N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-2-13-5-3-7-16-17(13)21(27)28-19(23-16)15-6-4-10-22-18(15)24-11-8-14(9-12-24)20(25)26/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,25,26)
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n/an/a 8.60n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296830
PNG
(5-ethyl-7-methoxy-2-(2-(4-(2-methoxyethyl)piperazi...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CCOC)CC1
Show InChI InChI=1S/C23H28N4O4/c1-4-16-14-17(30-3)15-19-20(16)23(28)31-22(25-19)18-6-5-7-24-21(18)27-10-8-26(9-11-27)12-13-29-2/h5-7,14-15H,4,8-13H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296826
PNG
(5-ethyl-2-(2-(4-(2-hydroxyethyl)piperazin-1-yl)pyr...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26N4O4/c1-3-15-13-16(29-2)14-18-19(15)22(28)30-21(24-18)17-5-4-6-23-20(17)26-9-7-25(8-10-26)11-12-27/h4-6,13-14,27H,3,7-12H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296834
PNG
((R)-1-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCC[C@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O5/c1-3-13-10-15(29-2)11-17-18(13)22(28)30-20(24-17)16-7-4-8-23-19(16)25-9-5-6-14(12-25)21(26)27/h4,7-8,10-11,14H,3,5-6,9,12H2,1-2H3,(H,26,27)/t14-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296804
PNG
(5-ethyl-7-methoxy-2-(2-(4-methylpiperazin-1-yl)pyr...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(C)CC1
Show InChI InChI=1S/C21H24N4O3/c1-4-14-12-15(27-3)13-17-18(14)21(26)28-20(23-17)16-6-5-7-22-19(16)25-10-8-24(2)9-11-25/h5-7,12-13H,4,8-11H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296824
PNG
(2-(2-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)pyr...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C24H31N5O3/c1-5-17-15-18(31-4)16-20-21(17)24(30)32-23(26-20)19-7-6-8-25-22(19)29-13-11-28(12-14-29)10-9-27(2)3/h6-8,15-16H,5,9-14H2,1-4H3
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n/an/a 21n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296828
PNG
(5-ethyl-2-(2-(4-isobutylpiperazin-1-yl)pyridin-3-y...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC(C)C)CC1
Show InChI InChI=1S/C24H30N4O3/c1-5-17-13-18(30-4)14-20-21(17)24(29)31-23(26-20)19-7-6-8-25-22(19)28-11-9-27(10-12-28)15-16(2)3/h6-8,13-14,16H,5,9-12,15H2,1-4H3
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n/an/a 21n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296827
PNG
(5-ethyl-7-methoxy-2-(2-(4-(2-morpholinoethyl)piper...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CCN2CCOCC2)CC1
Show InChI InChI=1S/C26H33N5O4/c1-3-19-17-20(33-2)18-22-23(19)26(32)35-25(28-22)21-5-4-6-27-24(21)31-11-9-29(10-12-31)7-8-30-13-15-34-16-14-30/h4-6,17-18H,3,7-16H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296835
PNG
(2-(4-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]o...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC(O)=O)CC1
Show InChI InChI=1S/C22H24N4O5/c1-3-14-11-15(30-2)12-17-19(14)22(29)31-21(24-17)16-5-4-6-23-20(16)26-9-7-25(8-10-26)13-18(27)28/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,27,28)
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n/an/a 23n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296825
PNG
(3-(4-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]o...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CCC#N)CC1
Show InChI InChI=1S/C23H25N5O3/c1-3-16-14-17(30-2)15-19-20(16)23(29)31-22(26-19)18-6-4-8-25-21(18)28-12-10-27(11-13-28)9-5-7-24/h4,6,8,14-15H,3,5,9-13H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296833
PNG
((S)-1-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCC[C@@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O5/c1-3-13-10-15(29-2)11-17-18(13)22(28)30-20(24-17)16-7-4-8-23-19(16)25-9-5-6-14(12-25)21(26)27/h4,7-8,10-11,14H,3,5-6,9,12H2,1-2H3,(H,26,27)/t14-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296829
PNG
(2-(2-(4-butylpiperazin-1-yl)pyridin-3-yl)-5-ethyl-...)
Show SMILES CCCCN1CCN(CC1)c1ncccc1-c1nc2cc(OC)cc(CC)c2c(=O)o1
Show InChI InChI=1S/C24H30N4O3/c1-4-6-10-27-11-13-28(14-12-27)22-19(8-7-9-25-22)23-26-20-16-18(30-3)15-17(5-2)21(20)24(29)31-23/h7-9,15-16H,4-6,10-14H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296831
PNG
(2-(2-(4-(cyclopropylmethyl)piperazin-1-yl)pyridin-...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C24H28N4O3/c1-3-17-13-18(30-2)14-20-21(17)24(29)31-23(26-20)19-5-4-8-25-22(19)28-11-9-27(10-12-28)15-16-6-7-16/h4-5,8,13-14,16H,3,6-7,9-12,15H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296802
PNG
(5-ethyl-7-methoxy-2-(2-(4-(1-methylpiperidin-4-yl)...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C26H33N5O3/c1-4-18-16-20(33-3)17-22-23(18)26(32)34-25(28-22)21-6-5-9-27-24(21)31-14-12-30(13-15-31)19-7-10-29(2)11-8-19/h5-6,9,16-17,19H,4,7-8,10-15H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296803
PNG
(1-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxaz...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H23N3O5/c1-3-13-11-15(29-2)12-17-18(13)22(28)30-20(24-17)16-5-4-8-23-19(16)25-9-6-14(7-10-25)21(26)27/h4-5,8,11-12,14H,3,6-7,9-10H2,1-2H3,(H,26,27)
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n/an/a 28n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296832
PNG
(2-(2-(4-cyclopentylpiperazin-1-yl)pyridin-3-yl)-5-...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C25H30N4O3/c1-3-17-15-19(31-2)16-21-22(17)25(30)32-24(27-21)20-9-6-10-26-23(20)29-13-11-28(12-14-29)18-7-4-5-8-18/h6,9-10,15-16,18H,3-5,7-8,11-14H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50296823
PNG
(5-methyl-2-(2-phenoxypyridin-3-yl)-4H-benzo[d][1,3...)
Show SMILES Cc1cccc2nc(oc(=O)c12)-c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C20H14N2O3/c1-13-7-5-11-16-17(13)20(23)25-19(22-16)15-10-6-12-21-18(15)24-14-8-3-2-4-9-14/h2-12H,1H3
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n/an/a 61n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair
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