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4 similar compounds to monomer 50014094

Compile data set for download or QSAR
Wt: 477.8
BDBM50436048
Wt: 441.9
BDBM50014091
Wt: 476.3
BDBM50014092
Wt: 477.8
BDBM50014093

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50436048,50014091,50014092,50014093   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436048
PNG
(CHEMBL2396745)
Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(F)c(F)c1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)/t20-/m0/s1
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PubMed
250n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay in presence of P4 ...


Bioorg Med Chem 21: 3982-95 (2013)


Article DOI: 10.1016/j.bmc.2012.06.020
BindingDB Entry DOI: 10.7270/Q2QV3NWD
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50014093
PNG
(CHEMBL3260848)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)c(F)c1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)
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250n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50014092
PNG
(CHEMBL3259830 | US9187441, 9l)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)
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US Patent
300 -8.74n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50014092
PNG
(CHEMBL3259830 | US9187441, 9l)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)
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US Patent
400 -8.58n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50014092
PNG
(CHEMBL3259830 | US9187441, 9l)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)
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Article
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400n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of fluorescent P4 peptide from MDM2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50014092
PNG
(CHEMBL3259830 | US9187441, 9l)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)
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US Patent
700 -8.25n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50014091
PNG
(CHEMBL3260847)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccccc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H24ClN3O4/c1-23(2,3)26-21(29)20(27(13-28)12-14-7-5-4-6-8-14)18-16-10-9-15(24)11-17(16)25-19(18)22(30)31/h4-11,13,20,25H,12H2,1-3H3,(H,26,29)(H,30,31)
PDB
MMDB

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



University of Utah

Curated by ChEMBL


Assay Description
Displacement of fluorescent P4 peptide from MDM2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair