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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'zhang' and Initial = 'fh'   
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))
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))
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))
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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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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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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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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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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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
Integrase


(Human immunodeficiency virus 1)
BDBM50017683
PNG
(CHEMBL3286423)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OCc1ccc(F)cc1)c2=O
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-22-20(28)19-17(27)8-14(24)9-18(19)30-21(22)12-3-6-15(25)16(26)7-12/h1-9,24-27H,10H2
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n/an/a 380n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 450n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 600n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 780n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017693
PNG
(CHEMBL3288712)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(F)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 940n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017694
PNG
(CHEMBL3288713)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(cc(O)c2c(=O)c1O)N1CCOCC1
Show InChI InChI=1S/C19H17NO7/c21-12-2-1-10(7-13(12)22)19-18(25)17(24)16-14(23)8-11(9-15(16)27-19)20-3-5-26-6-4-20/h1-2,7-9,21-23,25H,3-6H2
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n/an/a 970n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 1.10E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017688
PNG
(CHEMBL3288960)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(OCc2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-6-3-12(7-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 1.40E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.50E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017690
PNG
(CHEMBL3288945)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(cc2o1)N1CCOCC1
Show InChI InChI=1S/C19H17NO6/c21-13-2-1-11(7-14(13)22)17-10-16(24)19-15(23)8-12(9-18(19)26-17)20-3-5-25-6-4-20/h1-2,7-10,21-23H,3-6H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017680
PNG
(CHEMBL3288956)
Show SMILES Oc1ccc(cc1)-c1coc2cc(cc(O)c2c1=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)15-11-25-17-10-13(20-5-7-24-8-6-20)9-16(22)18(17)19(15)23/h1-4,9-11,21-22H,5-8H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017670
PNG
(CHEMBL3288948)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(cc2o1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)17-11-16(23)19-15(22)9-13(10-18(19)25-17)20-5-7-24-8-6-20/h1-4,9-11,21-22H,5-8H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017685
PNG
(CHEMBL3288958)
Show SMILES Oc1cc(OCc2ccc(F)cc2)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-8-14(24)9-18-19(17)20(27)21(28)22(30-18)12-3-6-15(25)16(26)7-12/h1-9,24-26,28H,10H2
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017687
PNG
(CHEMBL3288959)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-7-12(3-6-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50017693
PNG
(CHEMBL3288712)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(F)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50484177
PNG
(CHEMBL1813504)
Show SMILES Oc1cc(cc(C(=O)NCc2ccc(F)cc2)c1O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C19H21FN2O5S/c20-14-6-4-13(5-7-14)12-21-19(25)16-10-15(11-17(23)18(16)24)28(26,27)22-8-2-1-3-9-22/h4-7,10-11,23-24H,1-3,8-9,12H2,(H,21,25)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-5'-end-labeled 5'-ACTGCTAGAGATTTTCCACAC-3' as substrate after 1 hr


Bioorg Med Chem 19: 4935-52 (2011)


Article DOI: 10.1016/j.bmc.2011.06.058
BindingDB Entry DOI: 10.7270/Q2NV9N46
More data for this
Ligand-Target Pair
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