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Compile Data Set for Download or QSAR

Found 4627 hits Enz. Inhib. hit(s) with Target = 'Mdm2'   
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))
BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/s2
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n/an/an/a 0.0360n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli after 1 to 2 mins by surface plasmon resonance spectrosco...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448947
PNG
(CHEMBL3125702 | US9296736, 362 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/s2
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n/an/an/a 0.0450n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by Surface Plasmon Resonace (SPR) spectroscopy binding assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50437206
PNG
(CHEMBL2402737)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O
Show InChI InChI=1/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/s2
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n/an/an/a 0.150n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by Surface Plasmon Resonace (SPR) spectroscopy binding assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50392243
PNG
(CHEMBL2153474)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C73H104F4N18O18/c1-35(2)27-51(65(106)89-49(71(112)113)12-10-26-83-72(81)82)93-66(107)52(28-36(3)4)92-62(103)47(11-8-9-25-78)87-63(104)48(23-24-58(99)100)88-67(108)54(29-40-13-17-43(18-14-40)73(75,76)77)95-69(110)56(33-57(79)98)91-60(101)37(5)85-64(105)53(30-41-15-20-45(97)21-16-41)94-68(109)55(31-42-34-84-50-32-44(74)19-22-46(42)50)90-61(102)38(6)86-70(111)59(80)39(7)96/h13-22,32,34-39,47-49,51-56,59,84,96-97H,8-12,23-31,33,78,80H2,1-7H3,(H2,79,98)(H,85,105)(H,86,111)(H,87,104)(H,88,108)(H,89,106)(H,90,102)(H,91,101)(H,92,103)(H,93,107)(H,94,109)(H,95,110)(H,99,100)(H,112,113)(H4,81,82,83)/t37-,38-,39-,47-,48-,49-,51-,52-,53-,54-,55-,56-,59-/s2
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n/an/an/a 0.220n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by...


J Med Chem 55: 6237-41 (2012)


Article DOI: 10.1021/jm3005465
BindingDB Entry DOI: 10.7270/Q20P1143
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007639
PNG
(CHEMBL3233130)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21+,23+,24+/s2
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n/an/an/a 0.392n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli after 1 to 2 mins by surface plasmon resonance spectrosco...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50388626
PNG
(CHEMBL2059435 | US9296736, 152 | US9593129, Exampl...)
Show SMILES CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/s2
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n/an/an/a 0.400n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by SPR analysis


J Med Chem 55: 4936-54 (2012)


Article DOI: 10.1021/jm300354j
BindingDB Entry DOI: 10.7270/Q2S75HGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50388626
PNG
(CHEMBL2059435 | US9296736, 152 | US9593129, Exampl...)
Show SMILES CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/s2
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n/an/an/a 0.400n/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by surface plasmon resonance binding assay


J Med Chem 55: 4934-5 (2012)


Article DOI: 10.1021/jm3007068
BindingDB Entry DOI: 10.7270/Q2HT2QCX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50388626
PNG
(CHEMBL2059435 | US9296736, 152 | US9593129, Exampl...)
Show SMILES CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/s2
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n/an/an/a 0.400n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by Surface Plasmon Resonace (SPR) spectroscopy binding assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50392242
PNG
(CHEMBL2153473)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C73H105F3N18O18/c1-36(2)29-51(65(105)88-50(71(111)112)16-12-28-82-72(80)81)92-66(106)52(30-37(3)4)91-62(102)48(15-10-11-27-77)86-63(103)49(25-26-58(98)99)87-67(107)54(31-41-17-21-44(22-18-41)73(74,75)76)94-69(109)56(34-57(78)97)90-60(100)38(5)84-64(104)53(32-42-19-23-45(96)24-20-42)93-68(108)55(33-43-35-83-47-14-9-8-13-46(43)47)89-61(101)39(6)85-70(110)59(79)40(7)95/h8-9,13-14,17-24,35-40,48-56,59,83,95-96H,10-12,15-16,25-34,77,79H2,1-7H3,(H2,78,97)(H,84,104)(H,85,110)(H,86,103)(H,87,107)(H,88,105)(H,89,101)(H,90,100)(H,91,102)(H,92,106)(H,93,108)(H,94,109)(H,98,99)(H,111,112)(H4,80,81,82)/t38-,39-,40-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/s2
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n/an/an/a 0.450n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by...


J Med Chem 55: 6237-41 (2012)


Article DOI: 10.1021/jm3005465
BindingDB Entry DOI: 10.7270/Q20P1143
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50453917
PNG
(CHEMBL4208294)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C99H153N21O27/c1-53(2)43-68(105-58(10)123)87(137)115-75(52-121)92(142)108-64(34-37-76(101)124)84(134)107-65(35-38-78(126)127)86(136)118-81(57(9)122)95(145)114-72(47-59-29-21-20-22-30-59)94(144)120-99(12)41-27-19-17-15-13-14-16-18-26-40-98(11,96(146)116-66(36-39-79(128)129)85(135)109-67(82(103)132)49-77(102)125)119-93(143)71(46-56(7)8)112-88(138)69(44-54(3)4)110-83(133)63(33-25-28-42-100)106-90(140)73(48-60-51-104-62-32-24-23-31-61(60)62)113-89(139)70(45-55(5)6)111-91(141)74(50-80(130)131)117-97(99)147/h14,16,20-24,29-32,51,53-57,63-75,81,104,121-122H,13,15,17-19,25-28,33-50,52,100H2,1-12H3,(H2,101,124)(H2,102,125)(H2,103,132)(H,105,123)(H,106,140)(H,107,134)(H,108,142)(H,109,135)(H,110,133)(H,111,141)(H,112,138)(H,113,139)(H,114,145)(H,115,137)(H,116,146)(H,117,147)(H,118,136)(H,119,143)(H,120,144)(H,126,127)(H,128,129)(H,130,131)/b16-14+/t57-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,81+,98+,99-/s2
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n/an/an/a 0.920n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to human DM2 (17 to 125 residues)


Bioorg Med Chem 26: 1197-1202 (2018)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50397771
PNG
(CHEMBL2059300 | US9593129, Example 67)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1/C28H33Cl2NO5/c1-6-22(25(34)36-27(2,3)4)31-24(17-10-12-19(29)13-11-17)21(18-8-7-9-20(30)14-18)15-28(5,26(31)35)16-23(32)33/h7-14,21-22,24H,6,15-16H2,1-5H3,(H,32,33)/t21-,22+,24-,28-/s2
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n/an/an/a 1n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by SPR analysis


J Med Chem 55: 4936-54 (2012)


Article DOI: 10.1021/jm300354j
BindingDB Entry DOI: 10.7270/Q2S75HGJ
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50287913
PNG
(CHEMBL4175039)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O
Show InChI InChI=1S/C98H153N27O25/c1-51(2)42-66-86(141)117-68(44-53(5)6)91(146)124-97(9,94(149)121-64(34-38-76(102)132)84(139)114-65(80(105)135)47-77(103)133)39-23-16-14-12-11-13-15-17-24-40-98(10,95(150)122-71(48-78(104)134)89(144)116-67(43-52(3)4)87(142)118-70(46-57-49-109-59-29-22-21-28-58(57)59)88(143)111-60(81(136)115-66)30-25-41-108-96(106)107)125-92(147)69(45-56-26-19-18-20-27-56)119-93(148)79(54(7)127)123-85(140)63(33-37-75(101)131)112-83(138)62(32-36-74(100)130)113-90(145)72(50-126)120-82(137)61(110-55(8)128)31-35-73(99)129/h12,14,18-22,26-29,49,51-54,60-72,79,109,126-127H,11,13,15-17,23-25,30-48,50H2,1-10H3,(H2,99,129)(H2,100,130)(H2,101,131)(H2,102,132)(H2,103,133)(H2,104,134)(H2,105,135)(H,110,128)(H,111,143)(H,112,138)(H,113,145)(H,114,139)(H,115,136)(H,116,144)(H,117,141)(H,118,142)(H,119,148)(H,120,137)(H,121,149)(H,122,150)(H,123,140)(H,124,146)(H,125,147)(H4,106,107,108)/b14-12-/t54-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79+,97+,98+/m1/s1
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n/an/an/a 2.30n/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Binding affinity to full length human MDM4 by fluorescence polarization assay


J Med Chem 61: 4791-4809 (2018)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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n/an/an/a 2.30n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 L33E mutant (14 to 111 residues) by ITC method


J Med Chem 58: 6348-58 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00810
BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/s2
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n/an/an/a 2.70n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by Surface Plasmon Resonace (SPR) spectroscopy binding assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50434287
PNG
(CHEMBL2386346)
Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/s2
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n/an/an/a 2.90n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by Surface Plasmon Resonace (SPR) spectroscopy binding assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50261656
PNG
(CHEMBL3347578)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C68H94N14O20/c1-34(2)25-45(60(93)74-46(26-35(3)4)61(94)81-52(33-84)67(100)82-24-12-17-53(82)68(101)102)75-64(97)50(30-54(69)87)79-63(96)49(29-40-31-71-43-16-11-10-15-42(40)43)78-62(95)48(28-39-18-20-41(86)21-19-39)76-58(91)44(22-23-55(88)89)73-57(90)36(5)72-59(92)47(27-38-13-8-7-9-14-38)77-65(98)51(32-83)80-66(99)56(70)37(6)85/h7-11,13-16,18-21,31,34-37,44-53,56,71,83-86H,12,17,22-30,32-33,70H2,1-6H3,(H2,69,87)(H,72,92)(H,73,90)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,95)(H,79,96)(H,80,99)(H,81,94)(H,88,89)(H,101,102)/t36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/s2
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n/an/an/a 3.20n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50261657
PNG
(CHEMBL4075572)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C74H98N14O20/c1-38(2)29-51(66(99)80-52(30-39(3)4)67(100)86-57(33-44-20-24-47(92)25-21-44)73(106)88-28-12-17-59(88)74(107)108)81-70(103)56(35-60(75)93)85-69(102)55(34-45-36-77-49-16-11-10-15-48(45)49)84-68(101)54(32-43-18-22-46(91)23-19-43)82-64(97)50(26-27-61(94)95)79-63(96)40(5)78-65(98)53(31-42-13-8-7-9-14-42)83-71(104)58(37-89)87-72(105)62(76)41(6)90/h7-11,13-16,18-25,36,38-41,50-59,62,77,89-92H,12,17,26-35,37,76H2,1-6H3,(H2,75,93)(H,78,98)(H,79,96)(H,80,99)(H,81,103)(H,82,97)(H,83,104)(H,84,101)(H,85,102)(H,86,100)(H,87,105)(H,94,95)(H,107,108)/t40-,41+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/s2
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MMDB

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n/an/an/a 6.30n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50261656
PNG
(CHEMBL3347578)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C68H94N14O20/c1-34(2)25-45(60(93)74-46(26-35(3)4)61(94)81-52(33-84)67(100)82-24-12-17-53(82)68(101)102)75-64(97)50(30-54(69)87)79-63(96)49(29-40-31-71-43-16-11-10-15-42(40)43)78-62(95)48(28-39-18-20-41(86)21-19-39)76-58(91)44(22-23-55(88)89)73-57(90)36(5)72-59(92)47(27-38-13-8-7-9-14-38)77-65(98)51(32-83)80-66(99)56(70)37(6)85/h7-11,13-16,18-21,31,34-37,44-53,56,71,83-86H,12,17,22-30,32-33,70H2,1-6H3,(H2,69,87)(H,72,92)(H,73,90)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,95)(H,79,96)(H,80,99)(H,81,94)(H,88,89)(H,101,102)/t36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/s2
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n/an/an/a 8.5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 (unknown origin) expressed in mouse A9 cells assessed as inositol phosphate accumulation using [myo-3H]inositol after 1 hr ...


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50261655
PNG
(CHEMBL4090785)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C74H98N14O19/c1-39(2)30-51(66(98)80-52(31-40(3)4)67(99)86-57(34-44-18-11-8-12-19-44)73(105)88-29-15-22-59(88)74(106)107)81-70(102)56(36-60(75)92)85-69(101)55(35-46-37-77-49-21-14-13-20-48(46)49)84-68(100)54(33-45-23-25-47(91)26-24-45)82-64(96)50(27-28-61(93)94)79-63(95)41(5)78-65(97)53(32-43-16-9-7-10-17-43)83-71(103)58(38-89)87-72(104)62(76)42(6)90/h7-14,16-21,23-26,37,39-42,50-59,62,77,89-91H,15,22,27-36,38,76H2,1-6H3,(H2,75,92)(H,78,97)(H,79,95)(H,80,98)(H,81,102)(H,82,96)(H,83,103)(H,84,100)(H,85,101)(H,86,99)(H,87,104)(H,93,94)(H,106,107)/t41-,42+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/s2
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n/an/an/a 8.60n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50261658
PNG
(CHEMBL4099164)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C71H96N16O19/c1-36(2)25-48(63(97)79-49(26-37(3)4)64(98)85-54(30-43-33-74-35-76-43)70(104)87-24-12-17-56(87)71(105)106)80-67(101)53(31-57(72)91)84-66(100)52(29-42-32-75-46-16-11-10-15-45(42)46)83-65(99)51(28-41-18-20-44(90)21-19-41)81-61(95)47(22-23-58(92)93)78-60(94)38(5)77-62(96)50(27-40-13-8-7-9-14-40)82-68(102)55(34-88)86-69(103)59(73)39(6)89/h7-11,13-16,18-21,32-33,35-39,47-56,59,75,88-90H,12,17,22-31,34,73H2,1-6H3,(H2,72,91)(H,74,76)(H,77,96)(H,78,94)(H,79,97)(H,80,101)(H,81,95)(H,82,102)(H,83,99)(H,84,100)(H,85,98)(H,86,103)(H,92,93)(H,105,106)/t38-,39+,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/s2
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n/an/an/a 14n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50392241
PNG
(CHEMBL2153361)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C72H105FN18O18/c1-36(2)28-51(65(102)85-49(71(108)109)17-13-27-79-72(77)78)89-66(103)52(29-37(3)4)88-62(99)47(16-11-12-26-74)83-63(100)48(24-25-58(95)96)84-67(104)54(30-41-14-9-8-10-15-41)91-69(106)56(34-57(75)94)87-60(97)38(5)81-64(101)53(31-42-18-21-45(93)22-19-42)90-68(105)55(32-43-35-80-50-33-44(73)20-23-46(43)50)86-61(98)39(6)82-70(107)59(76)40(7)92/h8-10,14-15,18-23,33,35-40,47-49,51-56,59,80,92-93H,11-13,16-17,24-32,34,74,76H2,1-7H3,(H2,75,94)(H,81,101)(H,82,107)(H,83,100)(H,84,104)(H,85,102)(H,86,98)(H,87,97)(H,88,99)(H,89,103)(H,90,105)(H,91,106)(H,95,96)(H,108,109)(H4,77,78,79)/t38-,39-,40-,47-,48-,49-,51-,52-,53-,54-,55-,56-,59-/s2
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n/an/an/a 14n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by...


J Med Chem 55: 6237-41 (2012)


Article DOI: 10.1021/jm3005465
BindingDB Entry DOI: 10.7270/Q20P1143
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50261654
PNG
(CHEMBL4076935)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C69H96N14O20/c1-34(2)26-46(61(94)76-47(27-35(3)4)65(98)82-57(38(7)86)68(101)83-25-13-18-53(83)69(102)103)75-64(97)51(31-54(70)88)80-63(96)50(30-41-32-72-44-17-12-11-16-43(41)44)79-62(95)49(29-40-19-21-42(87)22-20-40)77-59(92)45(23-24-55(89)90)74-58(91)36(5)73-60(93)48(28-39-14-9-8-10-15-39)78-66(99)52(33-84)81-67(100)56(71)37(6)85/h8-12,14-17,19-22,32,34-38,45-53,56-57,72,84-87H,13,18,23-31,33,71H2,1-7H3,(H2,70,88)(H,73,93)(H,74,91)(H,75,97)(H,76,94)(H,77,92)(H,78,99)(H,79,95)(H,80,96)(H,81,100)(H,82,98)(H,89,90)(H,102,103)/t36-,37+,38-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57+/s2
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n/an/an/a 15n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50261657
PNG
(CHEMBL4075572)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C74H98N14O20/c1-38(2)29-51(66(99)80-52(30-39(3)4)67(100)86-57(33-44-20-24-47(92)25-21-44)73(106)88-28-12-17-59(88)74(107)108)81-70(103)56(35-60(75)93)85-69(102)55(34-45-36-77-49-16-11-10-15-48(45)49)84-68(101)54(32-43-18-22-46(91)23-19-43)82-64(97)50(26-27-61(94)95)79-63(96)40(5)78-65(98)53(31-42-13-8-7-9-14-42)83-71(104)58(37-89)87-72(105)62(76)41(6)90/h7-11,13-16,18-25,36,38-41,50-59,62,77,89-92H,12,17,26-35,37,76H2,1-6H3,(H2,75,93)(H,78,98)(H,79,96)(H,80,99)(H,81,103)(H,82,97)(H,83,104)(H,84,101)(H,85,102)(H,86,100)(H,87,105)(H,94,95)(H,107,108)/t40-,41+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/s2
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n/an/an/a 19n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50261655
PNG
(CHEMBL4090785)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C74H98N14O19/c1-39(2)30-51(66(98)80-52(31-40(3)4)67(99)86-57(34-44-18-11-8-12-19-44)73(105)88-29-15-22-59(88)74(106)107)81-70(102)56(36-60(75)92)85-69(101)55(35-46-37-77-49-21-14-13-20-48(46)49)84-68(100)54(33-45-23-25-47(91)26-24-45)82-64(96)50(27-28-61(93)94)79-63(95)41(5)78-65(97)53(32-43-16-9-7-10-17-43)83-71(103)58(38-89)87-72(104)62(76)42(6)90/h7-14,16-21,23-26,37,39-42,50-59,62,77,89-91H,15,22,27-36,38,76H2,1-6H3,(H2,75,92)(H,78,97)(H,79,95)(H,80,98)(H,81,102)(H,82,96)(H,83,103)(H,84,100)(H,85,101)(H,86,99)(H,87,104)(H,93,94)(H,106,107)/t41-,42+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/s2
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n/an/an/a 21n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436123
PNG
(L-STINGIN)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1/C97H139N27O25S4/c1-48(2)34-64(84(136)111-62(27-29-75(100)127)82(134)119-70(96(148)149)39-55-42-104-47-107-55)115-91(143)72-46-153-152-45-71-90(142)110-60(20-12-13-31-98)80(132)108-50(5)95(147)124-33-15-22-74(124)93(145)112-63(28-30-77(129)130)83(135)123-78(51(6)125)94(146)118-67(36-52-16-8-7-9-17-52)87(139)114-65(35-49(3)4)85(137)121-73(44-151-150-43-58(99)79(131)113-69(40-76(101)128)89(141)122-71)92(144)116-66(37-53-23-25-56(126)26-24-53)86(138)117-68(38-54-41-106-59-19-11-10-18-57(54)59)88(140)109-61(81(133)120-72)21-14-32-105-97(102)103/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,106,125-126H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,127)(H2,101,128)(H,104,107)(H,108,132)(H,109,140)(H,110,142)(H,111,136)(H,112,145)(H,113,131)(H,114,139)(H,115,143)(H,116,144)(H,117,138)(H,118,146)(H,119,134)(H,120,133)(H,121,137)(H,122,141)(H,123,135)(H,129,130)(H,148,149)(H4,102,103,105)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/s2
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MMDB

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n/an/an/a 25n/an/an/an/an/a



Southwest University

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by surface plasmon resosnance analysis


Bioorg Med Chem 21: 4045-50 (2013)


Article DOI: 10.1016/j.bmc.2013.04.039
BindingDB Entry DOI: 10.7270/Q2TM7CH6
More data for this
Ligand-Target Pair
MDM2-MDMX


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



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled MDM2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic method


J Med Chem 59: 3152-62 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50392240
PNG
(CHEMBL2153360)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C72H106N18O18/c1-37(2)30-51(65(101)84-50(71(107)108)21-15-29-78-72(76)77)88-66(102)52(31-38(3)4)87-62(98)48(20-13-14-28-73)82-63(99)49(26-27-58(94)95)83-67(103)54(32-42-16-9-8-10-17-42)90-69(105)56(35-57(74)93)86-60(96)39(5)80-64(100)53(33-43-22-24-45(92)25-23-43)89-68(104)55(34-44-36-79-47-19-12-11-18-46(44)47)85-61(97)40(6)81-70(106)59(75)41(7)91/h8-12,16-19,22-25,36-41,48-56,59,79,91-92H,13-15,20-21,26-35,73,75H2,1-7H3,(H2,74,93)(H,80,100)(H,81,106)(H,82,99)(H,83,103)(H,84,101)(H,85,97)(H,86,96)(H,87,98)(H,88,102)(H,89,104)(H,90,105)(H,94,95)(H,107,108)(H4,76,77,78)/t39-,40-,41-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/s2
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n/an/an/a 37.8n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by...


J Med Chem 55: 6237-41 (2012)


Article DOI: 10.1021/jm3005465
BindingDB Entry DOI: 10.7270/Q20P1143
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448947
PNG
(CHEMBL3125702 | US9296736, 362 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/s2
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n/an/an/a 38n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by isothermal titration calorimetry


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448947
PNG
(CHEMBL3125702 | US9296736, 362 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/s2
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MMDB

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n/an/an/a 45n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by surface plasmon resonace spectroscopy


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)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](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/s2
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MMDB

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n/an/an/a 47n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to Hdm2


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50392244
PNG
(CHEMBL2153475)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C75H105N17O17/c1-39(2)30-54(90-72(106)60-25-17-29-92(60)73(107)59(35-46-38-81-51-23-15-13-21-48(46)51)91-71(105)58(88-65(99)49(76)36-62(95)96)34-45-37-80-50-22-14-12-20-47(45)50)67(101)83-43(8)64(98)87-57(33-44-18-10-9-11-19-44)70(104)84-52(26-27-61(93)94)66(100)82-42(7)63(97)86-55(31-40(3)4)69(103)89-56(32-41(5)6)68(102)85-53(74(108)109)24-16-28-79-75(77)78/h9-15,18-23,37-43,49,52-60,80-81H,16-17,24-36,76H2,1-8H3,(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,97)(H,87,98)(H,88,99)(H,89,103)(H,90,106)(H,91,105)(H,93,94)(H,95,96)(H,108,109)(H4,77,78,79)/t42-,43-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-/s2
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n/an/an/a 53n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by...


J Med Chem 55: 6237-41 (2012)


Article DOI: 10.1021/jm3005465
BindingDB Entry DOI: 10.7270/Q20P1143
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50287913
PNG
(CHEMBL4175039)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O
Show InChI InChI=1S/C98H153N27O25/c1-51(2)42-66-86(141)117-68(44-53(5)6)91(146)124-97(9,94(149)121-64(34-38-76(102)132)84(139)114-65(80(105)135)47-77(103)133)39-23-16-14-12-11-13-15-17-24-40-98(10,95(150)122-71(48-78(104)134)89(144)116-67(43-52(3)4)87(142)118-70(46-57-49-109-59-29-22-21-28-58(57)59)88(143)111-60(81(136)115-66)30-25-41-108-96(106)107)125-92(147)69(45-56-26-19-18-20-27-56)119-93(148)79(54(7)127)123-85(140)63(33-37-75(101)131)112-83(138)62(32-36-74(100)130)113-90(145)72(50-126)120-82(137)61(110-55(8)128)31-35-73(99)129/h12,14,18-22,26-29,49,51-54,60-72,79,109,126-127H,11,13,15-17,23-25,30-48,50H2,1-10H3,(H2,99,129)(H2,100,130)(H2,101,131)(H2,102,132)(H2,103,133)(H2,104,134)(H2,105,135)(H,110,128)(H,111,143)(H,112,138)(H,113,145)(H,114,139)(H,115,136)(H,116,144)(H,117,141)(H,118,142)(H,119,148)(H,120,137)(H,121,149)(H,122,150)(H,123,140)(H,124,146)(H,125,147)(H4,106,107,108)/b14-12-/t54-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79+,97+,98+/m1/s1
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MMDB

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n/an/an/a 55n/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 (17 to 125 residues) by fluorescence polarization assay


J Med Chem 61: 4791-4809 (2018)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433560
PNG
(CHEMBL2381409)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O
Show InChI InChI=1/C99H155N27O25/c1-52(2)43-67-87(142)118-69(45-54(5)6)92(147)125-98(9,95(150)122-65(35-39-77(103)133)85(140)115-66(81(106)136)48-78(104)134)40-24-16-14-12-11-13-15-17-25-41-99(10,96(151)123-72(49-79(105)135)90(145)117-68(44-53(3)4)88(143)119-71(47-58-50-110-60-30-22-21-29-59(58)60)89(144)112-61(82(137)116-67)31-23-26-42-109-97(107)108)126-93(148)70(46-57-27-19-18-20-28-57)120-94(149)80(55(7)128)124-86(141)64(34-38-76(102)132)113-84(139)63(33-37-75(101)131)114-91(146)73(51-127)121-83(138)62(111-56(8)129)32-36-74(100)130/h12,14,18-22,27-30,50,52-55,61-73,80,110,127-128H,11,13,15-17,23-26,31-49,51H2,1-10H3,(H2,100,130)(H2,101,131)(H2,102,132)(H2,103,133)(H2,104,134)(H2,105,135)(H2,106,136)(H,111,129)(H,112,144)(H,113,139)(H,114,146)(H,115,140)(H,116,137)(H,117,145)(H,118,142)(H,119,143)(H,120,149)(H,121,138)(H,122,150)(H,123,151)(H,124,141)(H,125,147)(H,126,148)(H4,107,108,109)/b14-12-/t55-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,80+,98+,99-/s2
PDB
MMDB

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n/an/an/a 55n/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2


Bioorg Med Chem Lett 23: 2480-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.034
BindingDB Entry DOI: 10.7270/Q2RN3970
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50261658
PNG
(CHEMBL4099164)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C71H96N16O19/c1-36(2)25-48(63(97)79-49(26-37(3)4)64(98)85-54(30-43-33-74-35-76-43)70(104)87-24-12-17-56(87)71(105)106)80-67(101)53(31-57(72)91)84-66(100)52(29-42-32-75-46-16-11-10-15-45(42)46)83-65(99)51(28-41-18-20-44(90)21-19-41)81-61(95)47(22-23-58(92)93)78-60(94)38(5)77-62(96)50(27-40-13-8-7-9-14-40)82-68(102)55(34-88)86-69(103)59(73)39(6)89/h7-11,13-16,18-21,32-33,35-39,47-56,59,75,88-90H,12,17,22-31,34,73H2,1-6H3,(H2,72,91)(H,74,76)(H,77,96)(H,78,94)(H,79,97)(H,80,101)(H,81,95)(H,82,102)(H,83,99)(H,84,100)(H,85,98)(H,86,103)(H,92,93)(H,105,106)/t38-,39+,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/s2
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n/an/an/a 61n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with Y188C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/s2
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n/an/an/a 67n/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HDM2


Nature 450: 1001-1009 (2007)


Article DOI: 10.1038/nature06526
BindingDB Entry DOI: 10.7270/Q24Q7VTV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)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](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/s2
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n/an/an/a 75n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to Hdm2


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/s2
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n/an/an/a 80n/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled p53 peptide from HDM2 by fluorescence polarization assay


Bioorg Med Chem 20: 1979-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.071
BindingDB Entry DOI: 10.7270/Q22J6CVS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/s2
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n/an/an/a 80n/an/an/a7.523



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


J Med Chem 48: 909-12 (2005)


Article DOI: 10.1021/jm049137g
BindingDB Entry DOI: 10.7270/Q2765CP8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50261654
PNG
(CHEMBL4076935)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C69H96N14O20/c1-34(2)26-46(61(94)76-47(27-35(3)4)65(98)82-57(38(7)86)68(101)83-25-13-18-53(83)69(102)103)75-64(97)51(31-54(70)88)80-63(96)50(30-41-32-72-44-17-12-11-16-43(41)44)79-62(95)49(29-40-19-21-42(87)22-20-40)77-59(92)45(23-24-55(89)90)74-58(91)36(5)73-60(93)48(28-39-14-9-8-10-15-39)78-66(99)52(33-84)81-67(100)56(71)37(6)85/h8-12,14-17,19-22,32,34-38,45-53,56-57,72,84-87H,13,18,23-31,33,71H2,1-7H3,(H2,70,88)(H,73,93)(H,74,91)(H,75,97)(H,76,94)(H,77,92)(H,78,99)(H,79,95)(H,80,96)(H,81,100)(H,82,98)(H,89,90)(H,102,103)/t36-,37+,38-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57+/s2
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n/an/an/a 84n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50392532
PNG
(CHEMBL2152332)
Show SMILES COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/s2
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n/an/an/a 150n/an/an/an/an/a



East China University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of PMDM6-F peptide binding to MDM2 binding domain (1 to 118 residues) (unknown origin) by fluorescence polarization binding assay


Bioorg Med Chem 25: 5268-5277 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50140248
PNG
(CHEMBL3752382)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C70H109N19O19/c1-34(2)26-47(62(100)81-45(22-23-56(94)95)60(98)80-44(16-11-12-24-71)59(97)84-49(28-36(5)6)64(102)85-48(27-35(3)4)63(101)82-46(69(107)108)17-13-25-77-70(75)76)86-66(104)52(31-54(72)92)83-58(96)37(7)79-61(99)50(29-39-18-20-41(91)21-19-39)87-65(103)51(30-40-33-78-43-15-10-9-14-42(40)43)88-67(105)53(32-55(73)93)89-68(106)57(74)38(8)90/h9-10,14-15,18-21,33-38,44-53,57,78,90-91H,11-13,16-17,22-32,71,74H2,1-8H3,(H2,72,92)(H2,73,93)(H,79,99)(H,80,98)(H,81,100)(H,82,101)(H,83,96)(H,84,97)(H,85,102)(H,86,104)(H,87,103)(H,88,105)(H,89,106)(H,94,95)(H,107,108)(H4,75,76,77)/t37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/s2
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n/an/an/a 219n/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin)


Bioorg Med Chem Lett 26: 707-13 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.084
BindingDB Entry DOI: 10.7270/Q2668G28
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM144638
PNG
(US8952036, Ex. 3)
Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)c(F)c2)c2cccc(Cl)c2)ccc1C(O)=O
Show InChI InChI=1/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/s2
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n/an/an/a 257n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by isothermal titration calorimetry


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2-MDMX


(Homo sapiens (Human))
BDBM50261659
PNG
(CHEMBL4059725)
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](N)CCC(O)=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)=O
Show InChI InChI=1/C70H104N14O21/c1-36(2)28-47(77-65(99)51(33-57(91)92)79-66(100)53(35-85)82-63(97)49(31-40-16-9-8-10-17-40)80-68(102)58(39(7)86)83-59(93)43(72)22-24-55(87)88)61(95)78-50(32-41-34-73-44-19-12-11-18-42(41)44)64(98)74-45(20-13-14-26-71)60(94)76-48(29-37(3)4)62(96)81-52(30-38(5)6)69(103)84-27-15-21-54(84)67(101)75-46(70(104)105)23-25-56(89)90/h8-12,16-19,34,36-39,43,45-54,58,73,85-86H,13-15,20-33,35,71-72H2,1-7H3,(H,74,98)(H,75,101)(H,76,94)(H,77,99)(H,78,95)(H,79,100)(H,80,102)(H,81,96)(H,82,97)(H,83,93)(H,87,88)(H,89,90)(H,91,92)(H,104,105)/t39-,43+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,58+/s2
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n/an/an/a 346n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with L100I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolatefrom cytopathic...


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)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](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/s2
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n/an/an/a 390n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to MDMX


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50500860
PNG
(CHEMBL3799447)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)
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n/an/an/a 472n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration microca...


J Med Chem 59: 3152-62 (2016)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50165694
PNG
(CHEMBL3139629)
Show SMILES FC(F)(F)c1ccc(OC2(CCCN(C2)C(=O)c2cnccc2C(F)(F)F)C(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1/C29H27F6N5O3/c30-28(31,32)20-5-7-21(8-6-20)43-27(26(42)39-16-14-38(15-17-39)24-4-1-2-11-37-24)10-3-13-40(19-27)25(41)22-18-36-12-9-23(22)29(33,34)35/h1-2,4-9,11-12,18H,3,10,13-17,19H2
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n/an/an/a 500n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by temperature dependent fluorescence assay


Bioorg Med Chem Lett 26: 2735-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD
More data for this
Ligand-Target Pair
Mdm2


(Homo sapiens (Human))
BDBM207976
PNG
(N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-ind...)
Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C27H21Cl3N2O2/c1-32-26(33)22(12-16-2-6-18(28)7-3-16)25(23-15-31-24-13-20(30)10-11-21(23)24)27(32,34)14-17-4-8-19(29)9-5-17/h2-11,13,15,31,34H,12,14H2,1H3
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n/an/an/a 500n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2-MDMX


(Homo sapiens (Human))
BDBM50467205
PNG
(CHEMBL4281213)
Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)[C@]1(O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C27H21Cl3N2O2/c1-32-26(33)22(12-16-2-6-18(28)7-3-16)25(23-15-31-24-13-20(30)10-11-21(23)24)27(32,34)14-17-4-8-19(29)9-5-17/h2-11,13,15,31,34H,12,14H2,1H3/t27-/s2
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MMDB

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n/an/an/a 500n/an/an/an/an/a



JSS Academy of Higher Education and Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in tryptophan fluoresce...


Eur J Med Chem 158: 7-24 (2018)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50261659
PNG
(CHEMBL4059725)
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](N)CCC(O)=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)=O
Show InChI InChI=1/C70H104N14O21/c1-36(2)28-47(77-65(99)51(33-57(91)92)79-66(100)53(35-85)82-63(97)49(31-40-16-9-8-10-17-40)80-68(102)58(39(7)86)83-59(93)43(72)22-24-55(87)88)61(95)78-50(32-41-34-73-44-19-12-11-18-42(41)44)64(98)74-45(20-13-14-26-71)60(94)76-48(29-37(3)4)62(96)81-52(30-38(5)6)69(103)84-27-15-21-54(84)67(101)75-46(70(104)105)23-25-56(89)90/h8-12,16-19,34,36-39,43,45-54,58,73,85-86H,13-15,20-33,35,71-72H2,1-7H3,(H,74,98)(H,75,101)(H,76,94)(H,77,99)(H,78,95)(H,79,100)(H,80,102)(H,81,96)(H,82,97)(H,83,93)(H,87,88)(H,89,90)(H,91,92)(H,104,105)/t39-,43+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,58+/s2
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MMDB

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n/an/an/a 614n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


Bioorg Med Chem Lett 27: 4678-4681 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


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

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n/an/an/a 700n/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Binding affinity to human wild type Mdm2 by isothermal titration calorimetry


J Med Chem 51: 5035-42 (2008)


Article DOI: 10.1021/jm8002813
BindingDB Entry DOI: 10.7270/Q2CZ3821
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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