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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'abdulkadir' and Initial = 's'   
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))
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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PDB
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506487
PNG
(CHEMBL4441886)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C78H126ClN17O24S7/c1-54(2)34-64(84-57(6)97)45-96(127(119,120)68-30-27-61(79)28-31-68)52-77(104)87-65(35-58-20-13-12-14-21-58)42-93(124(10,113)114)48-74(101)86-63(29-32-78(105)106)41-92(123(9,111)112)50-76(103)89-67(37-60-38-82-70-26-16-15-25-69(60)70)43-94(125(11,115)116)47-73(100)85-62(24-17-18-33-80)40-91(122(8,109)110)49-75(102)88-66(36-59-22-19-23-59)44-95(126(117,118)53-55(3)4)51-72(99)83-56(5)39-90(46-71(81)98)121(7,107)108/h12-16,20-21,25-28,30-31,38,54-56,59,62-67,82H,17-19,22-24,29,32-37,39-53,80H2,1-11H3,(H2,81,98)(H,83,99)(H,84,97)(H,85,100)(H,86,101)(H,87,104)(H,88,102)(H,89,103)(H,105,106)/t56-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 891n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506494
PNG
(CHEMBL4585139)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C75H131N17O24S7/c1-52(2)31-62(80-57(10)93)39-88(119(13,107)108)47-72(98)84-64(33-58-23-17-16-18-24-58)40-89(120(14,109)110)45-71(97)82-61(28-29-75(101)102)37-87(118(12,105)106)46-73(99)85-65(34-59-35-78-67-27-20-19-26-66(59)67)41-90(121(15,111)112)44-70(96)81-60(25-21-22-30-76)38-91(122(113,114)50-54(5)6)49-74(100)83-63(32-53(3)4)42-92(123(115,116)51-55(7)8)48-69(95)79-56(9)36-86(43-68(77)94)117(11,103)104/h16-20,23-24,26-27,35,52-56,60-65,78H,21-22,25,28-34,36-51,76H2,1-15H3,(H2,77,94)(H,79,95)(H,80,93)(H,81,96)(H,82,97)(H,83,100)(H,84,98)(H,85,99)(H,101,102)/t56-,60-,61-,62-,63-,64-,65-/m0/s1
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MMDB

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n/an/a 1.40E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506486
PNG
(CHEMBL4518146)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCCC\C=C\CCCCS1(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r,t:98|
Show InChI InChI=1S/C85H138ClN17O24S7/c1-61(2)41-71(91-65(8)104)52-103(134(126,127)75-35-32-68(86)33-36-75)59-84(111)95-73(43-66-27-19-18-20-28-66)49-98(129(10,116)117)55-81(108)93-70(34-37-85(112)113)48-101-58-83(110)96-74(44-67-45-89-77-31-22-21-30-76(67)77)50-99(130(11,118)119)54-80(107)92-69(29-23-24-38-87)47-100(131(120,121)39-25-16-14-12-13-15-17-26-40-132(101,122)123)57-82(109)94-72(42-62(3)4)51-102(133(124,125)60-63(5)6)56-79(106)90-64(7)46-97(53-78(88)105)128(9,114)115/h12-13,18-22,27-28,30-33,35-36,45,61-64,69-74,89H,14-17,23-26,29,34,37-44,46-60,87H2,1-11H3,(H2,88,105)(H,90,106)(H,91,104)(H,92,107)(H,93,108)(H,94,109)(H,95,111)(H,96,110)(H,112,113)/b13-12+/t64-,69-,70-,71-,72-,73-,74-/m0/s1
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MMDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506491
PNG
(CHEMBL4521951)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)44-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)87-65(35-58-21-15-14-16-22-58)41-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-91(122(11,110)111)49-75(102)88-66(36-59-37-81-69-25-18-17-24-68(59)69)42-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)43-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,103)(H,88,102)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1
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MMDB

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n/an/a 2.80E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506485
PNG
(CHEMBL4460980)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCCCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C80H130ClN17O24S7/c1-56(2)36-66(86-59(6)99)47-98(129(121,122)70-32-29-63(81)30-33-70)54-79(106)89-67(37-60-22-14-12-15-23-60)44-95(126(10,115)116)50-76(103)88-65(31-34-80(107)108)43-94(125(9,113)114)52-78(105)91-69(39-62-40-84-72-28-19-18-27-71(62)72)45-96(127(11,117)118)49-75(102)87-64(26-20-21-35-82)42-93(124(8,111)112)51-77(104)90-68(38-61-24-16-13-17-25-61)46-97(128(119,120)55-57(3)4)53-74(101)85-58(5)41-92(48-73(83)100)123(7,109)110/h12,14-15,18-19,22-23,27-30,32-33,40,56-58,61,64-69,84H,13,16-17,20-21,24-26,31,34-39,41-55,82H2,1-11H3,(H2,83,100)(H,85,101)(H,86,99)(H,87,102)(H,88,103)(H,89,106)(H,90,104)(H,91,105)(H,107,108)/t58-,64-,65-,66-,67-,68-,69-/m0/s1
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MMDB

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n/an/a 3.22E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506488
PNG
(CHEMBL4474794)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CC\C=C\CCCCS1(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r,t:96|
Show InChI InChI=1S/C83H134ClN17O24S7/c1-59(2)39-69(89-63(8)102)50-101(132(124,125)73-33-30-66(84)31-34-73)57-82(109)93-71(41-64-25-17-16-18-26-64)47-96(127(10,114)115)53-79(106)91-68(32-35-83(110)111)46-99-56-81(108)94-72(42-65-43-87-75-29-20-19-28-74(65)75)48-97(128(11,116)117)52-78(105)90-67(27-21-22-36-85)45-98(129(118,119)37-23-14-12-13-15-24-38-130(99,120)121)55-80(107)92-70(40-60(3)4)49-100(131(122,123)58-61(5)6)54-77(104)88-62(7)44-95(51-76(86)103)126(9,112)113/h12,14,16-20,25-26,28-31,33-34,43,59-62,67-72,87H,13,15,21-24,27,32,35-42,44-58,85H2,1-11H3,(H2,86,103)(H,88,104)(H,89,102)(H,90,105)(H,91,106)(H,92,107)(H,93,109)(H,94,108)(H,110,111)/b14-12+/t62-,67-,68-,69-,70-,71-,72-/m0/s1
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MMDB

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n/an/a 3.60E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506487
PNG
(CHEMBL4441886)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C78H126ClN17O24S7/c1-54(2)34-64(84-57(6)97)45-96(127(119,120)68-30-27-61(79)28-31-68)52-77(104)87-65(35-58-20-13-12-14-21-58)42-93(124(10,113)114)48-74(101)86-63(29-32-78(105)106)41-92(123(9,111)112)50-76(103)89-67(37-60-38-82-70-26-16-15-25-69(60)70)43-94(125(11,115)116)47-73(100)85-62(24-17-18-33-80)40-91(122(8,109)110)49-75(102)88-66(36-59-22-19-23-59)44-95(126(117,118)53-55(3)4)51-72(99)83-56(5)39-90(46-71(81)98)121(7,107)108/h12-16,20-21,25-28,30-31,38,54-56,59,62-67,82H,17-19,22-24,29,32-37,39-53,80H2,1-11H3,(H2,81,98)(H,83,99)(H,84,97)(H,85,100)(H,86,101)(H,87,104)(H,88,102)(H,89,103)(H,105,106)/t56-,62-,63-,64-,65-,66-,67-/m0/s1
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MMDB

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n/an/a 3.60E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506486
PNG
(CHEMBL4518146)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCCC\C=C\CCCCS1(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r,t:98|
Show InChI InChI=1S/C85H138ClN17O24S7/c1-61(2)41-71(91-65(8)104)52-103(134(126,127)75-35-32-68(86)33-36-75)59-84(111)95-73(43-66-27-19-18-20-28-66)49-98(129(10,116)117)55-81(108)93-70(34-37-85(112)113)48-101-58-83(110)96-74(44-67-45-89-77-31-22-21-30-76(67)77)50-99(130(11,118)119)54-80(107)92-69(29-23-24-38-87)47-100(131(120,121)39-25-16-14-12-13-15-17-26-40-132(101,122)123)57-82(109)94-72(42-62(3)4)51-102(133(124,125)60-63(5)6)56-79(106)90-64(7)46-97(53-78(88)105)128(9,114)115/h12-13,18-22,27-28,30-33,35-36,45,61-64,69-74,89H,14-17,23-26,29,34,37-44,46-60,87H2,1-11H3,(H2,88,105)(H,90,106)(H,91,104)(H,92,107)(H,93,108)(H,94,109)(H,95,111)(H,96,110)(H,112,113)/b13-12+/t64-,69-,70-,71-,72-,73-,74-/m0/s1
PDB
MMDB

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n/an/a 3.90E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.95E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506495
PNG
(CHEMBL4448426)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CO)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O25S7/c1-50(2)29-58(76-53(7)91)36-86(118(11,107)108)46-69(96)80-60(31-54-21-15-14-16-22-54)37-87(119(12,109)110)43-67(94)78-57(26-27-72(99)100)35-85(117(10,105)106)45-70(97)81-61(32-55-33-75-64-25-18-17-24-63(55)64)38-88(120(13,111)112)42-66(93)77-56(23-19-20-28-73)34-84(116(9,103)104)44-68(95)79-59(30-51(3)4)39-89(121(113,114)49-52(5)6)47-71(98)82-62(48-90)40-83(41-65(74)92)115(8,101)102/h14-18,21-22,24-25,33,50-52,56-62,75,90H,19-20,23,26-32,34-49,73H2,1-13H3,(H2,74,92)(H,76,91)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98)(H,99,100)/t56-,57-,58-,59-,60-,61-,62+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.14E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506484
PNG
(CHEMBL4530683)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C81H121N19O25/c1-40(2)31-54(93-77(121)58(37-66(110)111)95-78(122)60(39-101)98-75(119)56(34-45-17-10-9-11-18-45)96-80(124)67(43(7)102)99-72(116)52(25-28-65(108)109)89-70(114)50(87-44(8)103)23-26-62(83)104)73(117)94-57(35-46-38-86-48-20-13-12-19-47(46)48)76(120)88-49(21-14-15-29-82)69(113)92-55(32-41(3)4)74(118)97-59(33-42(5)6)81(125)100-30-16-22-61(100)79(123)90-51(24-27-64(106)107)71(115)91-53(68(85)112)36-63(84)105/h9-13,17-20,38,40-43,49-61,67,86,101-102H,14-16,21-37,39,82H2,1-8H3,(H2,83,104)(H2,84,105)(H2,85,112)(H,87,103)(H,88,120)(H,89,114)(H,90,123)(H,91,115)(H,92,113)(H,93,121)(H,94,117)(H,95,122)(H,96,124)(H,97,118)(H,98,119)(H,99,116)(H,106,107)(H,108,109)(H,110,111)/t43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,67+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.61E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506485
PNG
(CHEMBL4460980)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCCCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C80H130ClN17O24S7/c1-56(2)36-66(86-59(6)99)47-98(129(121,122)70-32-29-63(81)30-33-70)54-79(106)89-67(37-60-22-14-12-15-23-60)44-95(126(10,115)116)50-76(103)88-65(31-34-80(107)108)43-94(125(9,113)114)52-78(105)91-69(39-62-40-84-72-28-19-18-27-71(62)72)45-96(127(11,117)118)49-75(102)87-64(26-20-21-35-82)42-93(124(8,111)112)51-77(104)90-68(38-61-24-16-13-17-25-61)46-97(128(119,120)55-57(3)4)53-74(101)85-58(5)41-92(48-73(83)100)123(7,109)110/h12,14-15,18-19,22-23,27-30,32-33,40,56-58,61,64-69,84H,13,16-17,20-21,24-26,31,34-39,41-55,82H2,1-11H3,(H2,83,100)(H,85,101)(H,86,99)(H,87,102)(H,88,103)(H,89,106)(H,90,104)(H,91,105)(H,107,108)/t58-,64-,65-,66-,67-,68-,69-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506492
PNG
(CHEMBL4436594)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)41-91(122(11,110)111)49-75(102)87-65(35-58-21-15-14-16-22-58)42-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)88-66(36-59-37-81-69-25-18-17-24-68(59)69)43-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)44-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506484
PNG
(CHEMBL4530683)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C81H121N19O25/c1-40(2)31-54(93-77(121)58(37-66(110)111)95-78(122)60(39-101)98-75(119)56(34-45-17-10-9-11-18-45)96-80(124)67(43(7)102)99-72(116)52(25-28-65(108)109)89-70(114)50(87-44(8)103)23-26-62(83)104)73(117)94-57(35-46-38-86-48-20-13-12-19-47(46)48)76(120)88-49(21-14-15-29-82)69(113)92-55(32-41(3)4)74(118)97-59(33-42(5)6)81(125)100-30-16-22-61(100)79(123)90-51(24-27-64(106)107)71(115)91-53(68(85)112)36-63(84)105/h9-13,17-20,38,40-43,49-61,67,86,101-102H,14-16,21-37,39,82H2,1-8H3,(H2,83,104)(H2,84,105)(H2,85,112)(H,87,103)(H,88,120)(H,89,114)(H,90,123)(H,91,115)(H,92,113)(H,93,121)(H,94,117)(H,95,122)(H,96,124)(H,97,118)(H,98,119)(H,99,116)(H,106,107)(H,108,109)(H,110,111)/t43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,67+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506491
PNG
(CHEMBL4521951)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)44-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)87-65(35-58-21-15-14-16-22-58)41-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-91(122(11,110)111)49-75(102)88-66(36-59-37-81-69-25-18-17-24-68(59)69)42-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)43-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,103)(H,88,102)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506488
PNG
(CHEMBL4474794)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CC\C=C\CCCCS1(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r,t:96|
Show InChI InChI=1S/C83H134ClN17O24S7/c1-59(2)39-69(89-63(8)102)50-101(132(124,125)73-33-30-66(84)31-34-73)57-82(109)93-71(41-64-25-17-16-18-26-64)47-96(127(10,114)115)53-79(106)91-68(32-35-83(110)111)46-99-56-81(108)94-72(42-65-43-87-75-29-20-19-28-74(65)75)48-97(128(11,116)117)52-78(105)90-67(27-21-22-36-85)45-98(129(118,119)37-23-14-12-13-15-24-38-130(99,120)121)55-80(107)92-70(40-60(3)4)49-100(131(122,123)58-61(5)6)54-77(104)88-62(7)44-95(51-76(86)103)126(9,112)113/h12,14,16-20,25-26,28-31,33-34,43,59-62,67-72,87H,13,15,21-24,27,32,35-42,44-58,85H2,1-11H3,(H2,86,103)(H,88,104)(H,89,102)(H,90,105)(H,91,106)(H,92,107)(H,93,109)(H,94,108)(H,110,111)/b14-12+/t62-,67-,68-,69-,70-,71-,72-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506489
PNG
(CHEMBL4592815)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C74H127N17O26S7/c1-51(2)31-60(78-54(7)92)39-88(121(11,110)111)48-70(97)83-62(33-55-21-15-14-16-22-55)40-89(122(12,112)113)45-68(95)80-59(27-29-74(102)103)38-87(120(10,108)109)47-71(98)84-63(34-56-35-77-65-25-18-17-24-64(56)65)41-90(123(13,114)115)44-67(94)79-57(23-19-20-30-75)36-86(119(9,106)107)46-69(96)82-61(32-52(3)4)42-91(124(116,117)50-53(5)6)49-72(99)81-58(26-28-73(100)101)37-85(43-66(76)93)118(8,104)105/h14-18,21-22,24-25,35,51-53,57-63,77H,19-20,23,26-34,36-50,75H2,1-13H3,(H2,76,93)(H,78,92)(H,79,94)(H,80,95)(H,81,99)(H,82,96)(H,83,97)(H,84,98)(H,100,101)(H,102,103)/t57-,58-,59-,60-,61-,62-,63-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(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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n/an/a>1.00E+4n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506496
PNG
(CHEMBL4586161)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C66H113N15O21S6/c1-46(2)28-54(70-49(7)82)35-78(105(10,95)96)44-64(87)74-56(30-50-20-14-13-15-21-50)36-79(106(11,97)98)41-62(85)72-53(25-26-66(89)90)34-77(104(9,93)94)43-65(88)75-57(31-51-32-69-59-24-17-16-23-58(51)59)37-80(107(12,99)100)40-61(84)71-52(22-18-19-27-67)33-76(103(8,91)92)42-63(86)73-55(29-47(3)4)38-81(39-60(68)83)108(101,102)45-48(5)6/h13-17,20-21,23-24,32,46-48,52-57,69H,18-19,22,25-31,33-45,67H2,1-12H3,(H2,68,83)(H,70,82)(H,71,84)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,89,90)/t52-,53-,54-,55-,56-,57-/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506489
PNG
(CHEMBL4592815)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C74H127N17O26S7/c1-51(2)31-60(78-54(7)92)39-88(121(11,110)111)48-70(97)83-62(33-55-21-15-14-16-22-55)40-89(122(12,112)113)45-68(95)80-59(27-29-74(102)103)38-87(120(10,108)109)47-71(98)84-63(34-56-35-77-65-25-18-17-24-64(56)65)41-90(123(13,114)115)44-67(94)79-57(23-19-20-30-75)36-86(119(9,106)107)46-69(96)82-61(32-52(3)4)42-91(124(116,117)50-53(5)6)49-72(99)81-58(26-28-73(100)101)37-85(43-66(76)93)118(8,104)105/h14-18,21-22,24-25,35,51-53,57-63,77H,19-20,23,26-34,36-50,75H2,1-13H3,(H2,76,93)(H,78,92)(H,79,94)(H,80,95)(H,81,99)(H,82,96)(H,83,97)(H,84,98)(H,100,101)(H,102,103)/t57-,58-,59-,60-,61-,62-,63-/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506491
PNG
(CHEMBL4521951)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)44-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)87-65(35-58-21-15-14-16-22-58)41-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-91(122(11,110)111)49-75(102)88-66(36-59-37-81-69-25-18-17-24-68(59)69)42-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)43-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,103)(H,88,102)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1
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n/an/an/a 57n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506489
PNG
(CHEMBL4592815)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C74H127N17O26S7/c1-51(2)31-60(78-54(7)92)39-88(121(11,110)111)48-70(97)83-62(33-55-21-15-14-16-22-55)40-89(122(12,112)113)45-68(95)80-59(27-29-74(102)103)38-87(120(10,108)109)47-71(98)84-63(34-56-35-77-65-25-18-17-24-64(56)65)41-90(123(13,114)115)44-67(94)79-57(23-19-20-30-75)36-86(119(9,106)107)46-69(96)82-61(32-52(3)4)42-91(124(116,117)50-53(5)6)49-72(99)81-58(26-28-73(100)101)37-85(43-66(76)93)118(8,104)105/h14-18,21-22,24-25,35,51-53,57-63,77H,19-20,23,26-34,36-50,75H2,1-13H3,(H2,76,93)(H,78,92)(H,79,94)(H,80,95)(H,81,99)(H,82,96)(H,83,97)(H,84,98)(H,100,101)(H,102,103)/t57-,58-,59-,60-,61-,62-,63-/m0/s1
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n/an/an/a 99n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506484
PNG
(CHEMBL4530683)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C81H121N19O25/c1-40(2)31-54(93-77(121)58(37-66(110)111)95-78(122)60(39-101)98-75(119)56(34-45-17-10-9-11-18-45)96-80(124)67(43(7)102)99-72(116)52(25-28-65(108)109)89-70(114)50(87-44(8)103)23-26-62(83)104)73(117)94-57(35-46-38-86-48-20-13-12-19-47(46)48)76(120)88-49(21-14-15-29-82)69(113)92-55(32-41(3)4)74(118)97-59(33-42(5)6)81(125)100-30-16-22-61(100)79(123)90-51(24-27-64(106)107)71(115)91-53(68(85)112)36-63(84)105/h9-13,17-20,38,40-43,49-61,67,86,101-102H,14-16,21-37,39,82H2,1-8H3,(H2,83,104)(H2,84,105)(H2,85,112)(H,87,103)(H,88,120)(H,89,114)(H,90,123)(H,91,115)(H,92,113)(H,93,121)(H,94,117)(H,95,122)(H,96,124)(H,97,118)(H,98,119)(H,99,116)(H,106,107)(H,108,109)(H,110,111)/t43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,67+/m1/s1
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n/an/an/a 208n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506496
PNG
(CHEMBL4586161)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C66H113N15O21S6/c1-46(2)28-54(70-49(7)82)35-78(105(10,95)96)44-64(87)74-56(30-50-20-14-13-15-21-50)36-79(106(11,97)98)41-62(85)72-53(25-26-66(89)90)34-77(104(9,93)94)43-65(88)75-57(31-51-32-69-59-24-17-16-23-58(51)59)37-80(107(12,99)100)40-61(84)71-52(22-18-19-27-67)33-76(103(8,91)92)42-63(86)73-55(29-47(3)4)38-81(39-60(68)83)108(101,102)45-48(5)6/h13-17,20-21,23-24,32,46-48,52-57,69H,18-19,22,25-31,33-45,67H2,1-12H3,(H2,68,83)(H,70,82)(H,71,84)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,89,90)/t52-,53-,54-,55-,56-,57-/m0/s1
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n/an/an/a 109n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506494
PNG
(CHEMBL4585139)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C75H131N17O24S7/c1-52(2)31-62(80-57(10)93)39-88(119(13,107)108)47-72(98)84-64(33-58-23-17-16-18-24-58)40-89(120(14,109)110)45-71(97)82-61(28-29-75(101)102)37-87(118(12,105)106)46-73(99)85-65(34-59-35-78-67-27-20-19-26-66(59)67)41-90(121(15,111)112)44-70(96)81-60(25-21-22-30-76)38-91(122(113,114)50-54(5)6)49-74(100)83-63(32-53(3)4)42-92(123(115,116)51-55(7)8)48-69(95)79-56(9)36-86(43-68(77)94)117(11,103)104/h16-20,23-24,26-27,35,52-56,60-65,78H,21-22,25,28-34,36-51,76H2,1-15H3,(H2,77,94)(H,79,95)(H,80,93)(H,81,96)(H,82,97)(H,83,100)(H,84,98)(H,85,99)(H,101,102)/t56-,60-,61-,62-,63-,64-,65-/m0/s1
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n/an/an/a 184n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506487
PNG
(CHEMBL4441886)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C78H126ClN17O24S7/c1-54(2)34-64(84-57(6)97)45-96(127(119,120)68-30-27-61(79)28-31-68)52-77(104)87-65(35-58-20-13-12-14-21-58)42-93(124(10,113)114)48-74(101)86-63(29-32-78(105)106)41-92(123(9,111)112)50-76(103)89-67(37-60-38-82-70-26-16-15-25-69(60)70)43-94(125(11,115)116)47-73(100)85-62(24-17-18-33-80)40-91(122(8,109)110)49-75(102)88-66(36-59-22-19-23-59)44-95(126(117,118)53-55(3)4)51-72(99)83-56(5)39-90(46-71(81)98)121(7,107)108/h12-16,20-21,25-28,30-31,38,54-56,59,62-67,82H,17-19,22-24,29,32-37,39-53,80H2,1-11H3,(H2,81,98)(H,83,99)(H,84,97)(H,85,100)(H,86,101)(H,87,104)(H,88,102)(H,89,103)(H,105,106)/t56-,62-,63-,64-,65-,66-,67-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 26n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506485
PNG
(CHEMBL4460980)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCCCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C80H130ClN17O24S7/c1-56(2)36-66(86-59(6)99)47-98(129(121,122)70-32-29-63(81)30-33-70)54-79(106)89-67(37-60-22-14-12-15-23-60)44-95(126(10,115)116)50-76(103)88-65(31-34-80(107)108)43-94(125(9,113)114)52-78(105)91-69(39-62-40-84-72-28-19-18-27-71(62)72)45-96(127(11,117)118)49-75(102)87-64(26-20-21-35-82)42-93(124(8,111)112)51-77(104)90-68(38-61-24-16-13-17-25-61)46-97(128(119,120)55-57(3)4)53-74(101)85-58(5)41-92(48-73(83)100)123(7,109)110/h12,14-15,18-19,22-23,27-30,32-33,40,56-58,61,64-69,84H,13,16-17,20-21,24-26,31,34-39,41-55,82H2,1-11H3,(H2,83,100)(H,85,101)(H,86,99)(H,87,102)(H,88,103)(H,89,106)(H,90,104)(H,91,105)(H,107,108)/t58-,64-,65-,66-,67-,68-,69-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 279n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506495
PNG
(CHEMBL4448426)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CO)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O25S7/c1-50(2)29-58(76-53(7)91)36-86(118(11,107)108)46-69(96)80-60(31-54-21-15-14-16-22-54)37-87(119(12,109)110)43-67(94)78-57(26-27-72(99)100)35-85(117(10,105)106)45-70(97)81-61(32-55-33-75-64-25-18-17-24-63(55)64)38-88(120(13,111)112)42-66(93)77-56(23-19-20-28-73)34-84(116(9,103)104)44-68(95)79-59(30-51(3)4)39-89(121(113,114)49-52(5)6)47-71(98)82-62(48-90)40-83(41-65(74)92)115(8,101)102/h14-18,21-22,24-25,33,50-52,56-62,75,90H,19-20,23,26-32,34-49,73H2,1-13H3,(H2,74,92)(H,76,91)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98)(H,99,100)/t56-,57-,58-,59-,60-,61-,62+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 181n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506489
PNG
(CHEMBL4592815)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C74H127N17O26S7/c1-51(2)31-60(78-54(7)92)39-88(121(11,110)111)48-70(97)83-62(33-55-21-15-14-16-22-55)40-89(122(12,112)113)45-68(95)80-59(27-29-74(102)103)38-87(120(10,108)109)47-71(98)84-63(34-56-35-77-65-25-18-17-24-64(56)65)41-90(123(13,114)115)44-67(94)79-57(23-19-20-30-75)36-86(119(9,106)107)46-69(96)82-61(32-52(3)4)42-91(124(116,117)50-53(5)6)49-72(99)81-58(26-28-73(100)101)37-85(43-66(76)93)118(8,104)105/h14-18,21-22,24-25,35,51-53,57-63,77H,19-20,23,26-34,36-50,75H2,1-13H3,(H2,76,93)(H,78,92)(H,79,94)(H,80,95)(H,81,99)(H,82,96)(H,83,97)(H,84,98)(H,100,101)(H,102,103)/t57-,58-,59-,60-,61-,62-,63-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 440n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506491
PNG
(CHEMBL4521951)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)44-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)87-65(35-58-21-15-14-16-22-58)41-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-91(122(11,110)111)49-75(102)88-66(36-59-37-81-69-25-18-17-24-68(59)69)42-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)43-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,103)(H,88,102)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 370n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 98n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506484
PNG
(CHEMBL4530683)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C81H121N19O25/c1-40(2)31-54(93-77(121)58(37-66(110)111)95-78(122)60(39-101)98-75(119)56(34-45-17-10-9-11-18-45)96-80(124)67(43(7)102)99-72(116)52(25-28-65(108)109)89-70(114)50(87-44(8)103)23-26-62(83)104)73(117)94-57(35-46-38-86-48-20-13-12-19-47(46)48)76(120)88-49(21-14-15-29-82)69(113)92-55(32-41(3)4)74(118)97-59(33-42(5)6)81(125)100-30-16-22-61(100)79(123)90-51(24-27-64(106)107)71(115)91-53(68(85)112)36-63(84)105/h9-13,17-20,38,40-43,49-61,67,86,101-102H,14-16,21-37,39,82H2,1-8H3,(H2,83,104)(H2,84,105)(H2,85,112)(H,87,103)(H,88,120)(H,89,114)(H,90,123)(H,91,115)(H,92,113)(H,93,121)(H,94,117)(H,95,122)(H,96,124)(H,97,118)(H,98,119)(H,99,116)(H,106,107)(H,108,109)(H,110,111)/t43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,67+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 641n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 593n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50506487
PNG
(CHEMBL4441886)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C78H126ClN17O24S7/c1-54(2)34-64(84-57(6)97)45-96(127(119,120)68-30-27-61(79)28-31-68)52-77(104)87-65(35-58-20-13-12-14-21-58)42-93(124(10,113)114)48-74(101)86-63(29-32-78(105)106)41-92(123(9,111)112)50-76(103)89-67(37-60-38-82-70-26-16-15-25-69(60)70)43-94(125(11,115)116)47-73(100)85-62(24-17-18-33-80)40-91(122(8,109)110)49-75(102)88-66(36-59-22-19-23-59)44-95(126(117,118)53-55(3)4)51-72(99)83-56(5)39-90(46-71(81)98)121(7,107)108/h12-16,20-21,25-28,30-31,38,54-56,59,62-67,82H,17-19,22-24,29,32-37,39-53,80H2,1-11H3,(H2,81,98)(H,83,99)(H,84,97)(H,85,100)(H,86,101)(H,87,104)(H,88,102)(H,89,103)(H,105,106)/t56-,62-,63-,64-,65-,66-,67-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 221n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506485
PNG
(CHEMBL4460980)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCCCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C80H130ClN17O24S7/c1-56(2)36-66(86-59(6)99)47-98(129(121,122)70-32-29-63(81)30-33-70)54-79(106)89-67(37-60-22-14-12-15-23-60)44-95(126(10,115)116)50-76(103)88-65(31-34-80(107)108)43-94(125(9,113)114)52-78(105)91-69(39-62-40-84-72-28-19-18-27-71(62)72)45-96(127(11,117)118)49-75(102)87-64(26-20-21-35-82)42-93(124(8,111)112)51-77(104)90-68(38-61-24-16-13-17-25-61)46-97(128(119,120)55-57(3)4)53-74(101)85-58(5)41-92(48-73(83)100)123(7,109)110/h12,14-15,18-19,22-23,27-30,32-33,40,56-58,61,64-69,84H,13,16-17,20-21,24-26,31,34-39,41-55,82H2,1-11H3,(H2,83,100)(H,85,101)(H,86,99)(H,87,102)(H,88,103)(H,89,106)(H,90,104)(H,91,105)(H,107,108)/t58-,64-,65-,66-,67-,68-,69-/m0/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 90n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506493
PNG
(CHEMBL4453337)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C69H121ClN16O24S7/c1-48(2)30-58(75-53(9)87)39-86(117(109,110)61-26-23-55(70)24-27-61)46-68(94)79-60(32-54-20-16-15-17-21-54)37-84(115(14,105)106)43-66(92)77-57(25-28-69(95)96)36-83(114(13,103)104)41-63(89)73-52(8)34-81(112(11,99)100)42-65(91)76-56(22-18-19-29-71)35-82(113(12,101)102)44-67(93)78-59(31-49(3)4)38-85(116(107,108)47-50(5)6)45-64(90)74-51(7)33-80(40-62(72)88)111(10,97)98/h15-17,20-21,23-24,26-27,48-52,56-60H,18-19,22,25,28-47,71H2,1-14H3,(H2,72,88)(H,73,89)(H,74,90)(H,75,87)(H,76,91)(H,77,92)(H,78,93)(H,79,94)(H,95,96)/t51-,52-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50506492
PNG
(CHEMBL4436594)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)41-91(122(11,110)111)49-75(102)87-65(35-58-21-15-14-16-22-58)42-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)88-66(36-59-37-81-69-25-18-17-24-68(59)69)43-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)44-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 152n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...


J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair