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Compile Data Set for Download or QSAR

Found 45 hits of kd data for polymerid = 3720,4191   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
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 |r|
Show InChI InChI=1S/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+/m0/s1
PDB
MMDB

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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
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 |r|
Show InChI InChI=1S/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-/m1/s1
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MMDB

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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
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
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 |r,wU:88.93,81.85,54.64,41.46,17.22,4.4,102.105,wD:86.90,66.81,49.50,26.38,8.13,94.97,(29.11,-49.65,;29.11,-48.11,;30.44,-47.34,;27.78,-47.34,;27.77,-45.8,;26.43,-45.03,;25.1,-45.8,;25.11,-47.34,;23.77,-45.03,;23.77,-43.49,;25.11,-42.71,;25.11,-41.17,;26.44,-40.41,;26.43,-38.84,;22.44,-45.8,;21.1,-45.03,;21.1,-43.49,;19.77,-45.8,;19.77,-47.34,;21.1,-48.1,;21.1,-49.64,;19.77,-50.42,;22.44,-50.42,;18.43,-45.03,;17.09,-45.8,;17.09,-47.34,;15.76,-45.03,;15.76,-43.49,;17.09,-42.72,;17.09,-41.18,;18.43,-40.41,;19.76,-41.17,;19.76,-42.71,;18.43,-43.49,;21.09,-40.39,;22.43,-41.16,;21.09,-38.85,;22.42,-39.61,;14.43,-45.8,;13.09,-45.03,;13.1,-43.49,;11.75,-45.8,;11.76,-47.34,;13.1,-48.11,;14.43,-47.34,;13.1,-49.65,;10.42,-45.03,;9.09,-45.8,;9.09,-47.35,;7.75,-45.03,;7.75,-43.49,;6.42,-45.8,;5.09,-45.03,;5.09,-43.49,;3.75,-45.81,;3.75,-47.34,;5.09,-48.11,;6.42,-47.34,;7.75,-48.12,;7.75,-49.66,;9.09,-50.42,;6.42,-50.42,;5.09,-49.66,;2.41,-45.03,;1.08,-45.8,;1.08,-47.34,;-.25,-45.03,;-.25,-43.49,;1.09,-42.72,;2.49,-43.35,;3.52,-42.2,;2.74,-40.86,;3.22,-39.39,;2.19,-38.25,;2.67,-36.78,;.68,-38.58,;.21,-40.04,;1.24,-41.19,;-1.59,-45.8,;-2.92,-45.03,;-2.92,-43.5,;-4.26,-45.81,;-4.25,-47.35,;-5.58,-45.03,;-6.92,-45.81,;-6.92,-47.35,;-8.26,-45.03,;-9.59,-45.81,;-8.26,-43.49,;-9.59,-42.73,;-6.93,-42.73,;29.1,-45.03,;29.1,-43.49,;30.44,-45.8,;31.77,-45.03,;31.77,-43.49,;33.11,-42.7,;33.11,-41.16,;34.44,-43.47,;33.11,-45.8,;33.11,-47.34,;34.45,-45.02,;35.78,-45.79,;35.78,-47.34,;37.11,-48.1,;37.11,-49.63,;38.45,-50.42,;38.45,-51.95,;37.12,-52.73,;39.79,-52.73,;37.12,-45.03,;38.45,-45.8,;37.11,-43.49,)|
Show InChI InChI=1S/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-/m1/s1
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MMDB

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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
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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
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 |r|
Show InChI InChI=1S/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+/m0/s1
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MMDB

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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
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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
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 |r,wU:95.100,88.92,62.72,49.54,25.30,8.12,101.104,wD:93.97,74.88,57.58,34.46,16.21,4.4,(33.04,-24.32,;33.04,-25.86,;34.37,-26.63,;31.7,-26.65,;31.7,-28.19,;30.37,-28.96,;29.03,-28.19,;29.03,-26.65,;27.7,-28.96,;27.71,-30.5,;29.04,-31.27,;29.04,-32.81,;30.37,-30.5,;26.36,-28.18,;25.03,-28.96,;25.04,-30.5,;23.7,-28.19,;23.7,-26.65,;25.04,-25.87,;25.04,-24.33,;26.37,-23.57,;26.36,-22,;22.37,-28.96,;21.03,-28.19,;21.03,-26.65,;19.7,-28.96,;19.7,-30.5,;21.03,-31.26,;21.03,-32.8,;19.7,-33.58,;22.37,-33.58,;18.36,-28.19,;17.02,-28.96,;17.02,-30.5,;15.69,-28.19,;15.69,-26.65,;17.02,-25.88,;17.02,-24.34,;18.36,-23.57,;19.69,-24.33,;19.69,-25.87,;18.36,-26.65,;21.02,-23.55,;22.36,-24.32,;21.02,-22.01,;22.35,-22.77,;14.36,-28.96,;13.02,-28.19,;13.03,-26.65,;11.68,-28.96,;11.69,-30.5,;13.03,-31.27,;14.36,-30.5,;13.03,-32.81,;10.35,-28.19,;9.02,-28.96,;9.02,-30.5,;7.68,-28.19,;7.68,-26.65,;6.35,-28.96,;5.02,-28.19,;5.02,-26.65,;3.68,-28.96,;3.68,-30.5,;5.02,-31.27,;6.35,-30.5,;7.68,-31.28,;7.68,-32.82,;9.02,-33.58,;6.35,-33.58,;5.02,-32.82,;2.34,-28.19,;1.01,-28.96,;1.01,-30.5,;-.32,-28.19,;-.32,-26.65,;1.02,-25.88,;2.42,-26.5,;3.45,-25.36,;2.67,-24.02,;3.15,-22.55,;2.12,-21.41,;.61,-21.74,;.14,-23.2,;1.17,-24.35,;-1.66,-28.96,;-2.99,-28.19,;-2.99,-26.65,;-4.33,-28.97,;-4.32,-30.51,;-5.65,-28.19,;-6.99,-28.97,;-6.99,-30.5,;-8.33,-28.19,;-9.66,-28.97,;-8.33,-26.65,;-9.66,-25.89,;-7,-25.89,;33.04,-28.96,;33.04,-30.5,;34.38,-28.18,;35.71,-28.95,;35.71,-30.5,;37.04,-31.26,;37.04,-32.79,;38.38,-33.57,;38.38,-35.11,;37.05,-35.89,;39.72,-35.89,;37.05,-28.19,;38.38,-28.96,;37.04,-26.64,)|
Show InChI InChI=1S/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-/m1/s1
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MMDB

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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
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 |r|
Show InChI InChI=1S/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-/m1/s1
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MMDB

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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
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 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
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
PDB
MMDB

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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)

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 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/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+/m0/s1
PDB
MMDB

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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
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 |r,t:10|
Show InChI InChI=1S/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+/m0/s1
PDB
MMDB

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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
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 |r,wU:84.89,77.81,50.60,37.42,17.22,4.4,98.101,wD:82.86,62.77,45.46,26.34,8.13,90.93,(30.19,-17.41,;30.2,-15.86,;31.53,-15.1,;28.87,-15.09,;28.86,-13.55,;27.52,-12.78,;26.19,-13.56,;26.2,-15.1,;24.85,-12.79,;24.85,-11.25,;26.19,-10.46,;26.19,-8.92,;27.53,-8.17,;27.52,-6.6,;23.53,-13.56,;22.19,-12.78,;22.19,-11.24,;20.86,-13.56,;20.86,-15.1,;22.19,-15.86,;22.19,-17.4,;20.86,-18.17,;23.53,-18.18,;19.52,-12.79,;18.18,-13.56,;18.18,-15.1,;16.85,-12.79,;16.85,-11.25,;18.18,-10.47,;19.52,-11.25,;20.85,-10.46,;20.85,-8.92,;19.52,-8.17,;18.18,-8.94,;15.52,-13.56,;14.18,-12.79,;14.18,-11.25,;12.84,-13.56,;12.85,-15.1,;14.19,-15.86,;15.52,-15.1,;14.18,-17.41,;11.51,-12.79,;10.17,-13.56,;10.18,-15.1,;8.84,-12.79,;8.84,-11.25,;7.51,-13.56,;6.18,-12.79,;6.18,-11.25,;4.84,-13.56,;4.84,-15.1,;6.18,-15.87,;7.51,-15.1,;8.84,-15.88,;8.84,-17.42,;10.18,-18.18,;7.51,-18.18,;6.18,-17.41,;3.5,-12.79,;2.17,-13.56,;2.17,-15.1,;.84,-12.79,;.84,-11.25,;2.17,-10.48,;3.58,-11.1,;4.61,-9.96,;3.83,-8.62,;4.31,-7.15,;3.28,-6,;3.75,-4.54,;1.77,-6.33,;1.3,-7.8,;2.33,-8.95,;-.5,-13.56,;-1.84,-12.79,;-1.83,-11.25,;-3.17,-13.56,;-3.16,-15.11,;-4.5,-12.79,;-5.83,-13.56,;-5.83,-15.1,;-7.17,-12.79,;-8.5,-13.57,;-7.17,-11.25,;-8.5,-10.49,;-5.84,-10.49,;30.19,-12.79,;30.19,-11.25,;31.53,-13.56,;32.86,-12.78,;32.86,-11.24,;34.2,-10.46,;34.2,-8.92,;35.53,-11.23,;34.2,-13.55,;34.2,-15.09,;35.54,-12.77,;36.87,-13.54,;36.87,-15.1,;38.2,-15.85,;38.2,-17.39,;39.54,-18.17,;39.54,-19.71,;38.21,-20.48,;40.88,-20.48,;38.21,-12.78,;39.54,-13.55,;38.19,-11.24,)|
Show InChI InChI=1S/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-/m1/s1
PDB
MMDB

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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
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 |r,wU:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,wD:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,(32.63,-3.94,;32.63,-5.48,;31.3,-6.25,;33.95,-6.25,;33.95,-7.79,;32.63,-8.56,;32.63,-10.1,;33.95,-10.87,;31.3,-10.87,;31.3,-12.41,;32.63,-13.18,;19.28,-22.44,;19.26,-23.98,;17.93,-24.73,;17.9,-26.27,;16.56,-27.02,;15.24,-26.23,;16.55,-28.56,;15.2,-29.31,;13.88,-28.52,;12.53,-29.28,;13.9,-26.99,;17.87,-29.35,;19.21,-28.6,;19.23,-27.06,;20.53,-29.38,;20.52,-30.92,;21.87,-28.62,;21.89,-27.08,;17.96,-10.87,;19.31,-10.1,;19.31,-8.56,;17.96,-7.79,;16.63,-8.56,;16.63,-10.1,;15.3,-7.79,;15.3,-6.25,;16.63,-5.48,;17.96,-6.25,;16.63,-3.94,;13.97,-8.56,;13.97,-10.1,;15.3,-10.87,;12.63,-10.87,;11.3,-10.1,;11.3,-8.56,;12.63,-7.8,;12.62,-6.25,;11.29,-5.48,;9.96,-6.25,;9.96,-7.79,;12.63,-12.41,;11.3,-13.18,;9.97,-12.41,;11.3,-14.72,;9.97,-15.49,;8.64,-14.72,;8.64,-13.18,;7.3,-15.49,;5.97,-14.72,;4.64,-15.49,;4.64,-17.02,;5.97,-17.79,;3.31,-17.79,;7.3,-17.02,;8.64,-17.79,;9.97,-17.02,;8.64,-19.33,;7.25,-20.05,;7.77,-21.64,;9.46,-21.62,;9.99,-20.02,;11.32,-19.27,;11.34,-17.73,;12.64,-20.05,;13.99,-19.29,;12.63,-21.59,;13.95,-22.37,;15.29,-21.62,;13.93,-23.91,;12.58,-24.66,;12.58,-26.2,;11.24,-26.97,;11.21,-28.51,;9.88,-29.26,;15.26,-24.7,;16.6,-23.94,;16.62,-22.41,;12.63,-15.49,;12.63,-17.02,;13.97,-14.72,;20.63,-7.79,;20.63,-6.25,;21.96,-8.56,;21.96,-10.1,;20.63,-10.87,;20.63,-12.41,;21.98,-13.18,;21.98,-14.73,;20.66,-15.5,;20.66,-17.03,;19.31,-14.73,;19.31,-13.18,;23.29,-10.87,;23.29,-12.41,;24.63,-10.1,;24.63,-8.56,;23.29,-7.79,;23.21,-5.8,;22.01,-5,;22.35,-3.5,;23.89,-3.36,;24.8,-2.13,;26.33,-2.32,;26.93,-3.74,;26.02,-4.96,;24.49,-4.78,;25.96,-7.79,;25.96,-6.25,;27.29,-8.56,;28.63,-7.79,;28.63,-6.25,;29.97,-5.48,;29.97,-3.94,;31.3,-3.17,;31.3,-1.64,;32.63,-.87,;29.97,-.87,;29.97,-8.56,;31.3,-7.79,;29.97,-10.1,;35.29,-8.56,;35.29,-10.1,;36.62,-7.79,;37.96,-8.56,;39.29,-7.79,;39.29,-6.25,;37.96,-5.48,;37.96,-3.94,;36.62,-6.25,;37.96,-10.1,;39.29,-10.87,;36.62,-10.87,;36.62,-12.41,;37.96,-13.18,;37.96,-14.72,;36.71,-15.63,;37.18,-17.08,;38.73,-17.09,;39.21,-15.63,;35.29,-13.18,;35.29,-14.72,;33.95,-12.41,)|
Show InChI InChI=1S/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-/m0/s1
PDB
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
More data for this
Ligand-Target Pair
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 |r,wU:91.96,84.88,58.68,45.50,25.30,8.12,97.100,wD:89.93,70.84,53.54,34.42,16.21,4.4,(32.72,5.46,;32.72,3.92,;34.05,3.15,;31.38,3.14,;31.38,1.6,;30.05,.83,;28.71,1.6,;28.72,3.14,;27.38,.83,;27.39,-.71,;28.72,-1.48,;28.72,-3.03,;30.05,-.71,;26.05,1.6,;24.71,.83,;24.72,-.71,;23.38,1.6,;23.38,3.14,;24.72,3.92,;24.72,5.46,;26.05,6.22,;26.04,7.8,;22.05,.82,;20.71,1.6,;20.71,3.14,;19.38,.83,;19.38,-.71,;20.71,-1.48,;20.72,-3.02,;19.38,-3.79,;22.05,-3.79,;18.04,1.6,;16.7,.82,;16.7,-.72,;15.37,1.59,;15.37,3.13,;16.7,3.91,;18.04,3.14,;19.37,3.92,;19.37,5.46,;18.04,6.22,;16.7,5.45,;14.04,.83,;12.71,1.6,;12.71,3.14,;11.37,.82,;11.37,-.72,;12.71,-1.48,;14.04,-.71,;12.71,-3.03,;10.04,1.6,;8.7,.82,;8.7,-.72,;7.36,1.59,;7.36,3.14,;6.03,.82,;4.7,1.59,;4.7,3.14,;3.36,.82,;3.36,-.72,;4.7,-1.48,;6.03,-.72,;7.36,-1.49,;7.36,-3.03,;8.7,-3.8,;6.04,-3.8,;4.7,-3.03,;2.03,1.59,;.69,.82,;.69,-.72,;-.64,1.59,;-.63,3.13,;.7,3.91,;2.1,3.28,;3.13,4.42,;2.35,5.76,;2.83,7.23,;1.8,8.38,;.3,8.06,;-.18,6.58,;.85,5.44,;-1.97,.82,;-3.31,1.59,;-3.31,3.13,;-4.64,.82,;-4.64,-.72,;-5.97,1.6,;-7.31,.82,;-7.31,-.72,;-8.65,1.59,;-9.98,.82,;-8.65,3.13,;-9.98,3.9,;-7.32,3.9,;32.72,.83,;32.72,-.71,;34.06,1.61,;35.39,.84,;35.39,-.71,;36.72,-1.47,;36.72,-3.01,;38.06,-3.79,;38.06,-5.33,;36.73,-6.1,;39.4,-6.1,;36.73,1.6,;38.06,.83,;36.72,3.14,)|
Show InChI InChI=1S/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-/m1/s1
PDB
MMDB

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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
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 |r|
Show InChI InChI=1S/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-/m1/s1
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MMDB

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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
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
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 |r|
Show InChI InChI=1S/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+/m1/s1
PDB
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
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 |r,wU:38.43,22.30,8.8,90.95,wD:81.87,67.83,53.67,46.46,33.34,13.18,4.4,98.103,(32.98,-24.45,;32.95,-26.01,;34.25,-26.8,;31.61,-26.75,;31.58,-28.3,;30.23,-29.05,;28.92,-28.27,;28.95,-26.71,;27.56,-29.01,;27.53,-30.54,;26.25,-28.23,;24.9,-28.98,;24.86,-30.5,;23.59,-28.19,;23.62,-26.64,;24.96,-25.91,;24.98,-24.35,;23.65,-23.55,;26.31,-23.61,;22.23,-28.94,;20.92,-28.16,;20.96,-26.6,;19.57,-28.9,;19.53,-30.43,;20.86,-31.24,;22.22,-30.47,;23.54,-31.25,;23.52,-32.79,;22.17,-33.55,;20.85,-32.75,;18.26,-28.12,;16.9,-28.87,;16.87,-30.39,;15.59,-28.08,;15.63,-26.53,;14.24,-28.83,;12.93,-28.05,;12.96,-26.49,;11.57,-28.79,;11.55,-30.32,;12.87,-31.13,;12.84,-32.64,;14.23,-30.37,;10.26,-28,;8.91,-28.74,;8.88,-30.28,;7.6,-27.95,;7.7,-26.41,;6.06,-26.05,;5.21,-27.5,;6.32,-28.76,;6.1,-30.28,;7.31,-31.24,;4.68,-30.86,;3.47,-29.91,;2.04,-30.48,;.73,-29.66,;-.45,-30.64,;.12,-32.07,;-.56,-33.45,;.3,-34.73,;1.84,-34.63,;2.51,-33.24,;1.66,-31.97,;4.46,-32.38,;5.67,-33.33,;7.09,-32.76,;5.45,-34.86,;4.02,-35.43,;3.8,-36.95,;4.9,-38.02,;4.22,-39.4,;2.7,-39.18,;1.51,-40.17,;.07,-39.64,;-.19,-38.12,;.99,-37.14,;2.44,-37.67,;6.66,-35.81,;8.08,-35.24,;8.3,-33.71,;9.29,-36.19,;10.72,-35.61,;9.07,-37.71,;7.65,-38.28,;6.44,-37.33,;7.43,-39.81,;32.89,-29.09,;32.86,-30.61,;34.25,-28.34,;35.56,-29.12,;35.52,-30.65,;36.85,-31.45,;36.83,-32.97,;38.21,-30.7,;36.91,-28.38,;36.94,-26.82,;38.22,-29.16,;39.58,-28.41,;39.61,-26.86,;40.95,-26.12,;40.97,-24.56,;42.31,-23.83,;42.34,-22.28,;41.01,-21.47,;43.67,-21.54,;40.89,-29.2,;42.24,-28.45,;40.85,-30.72,)|
Show InChI InChI=1S/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-/m1/s1
PDB
MMDB

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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
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 |r,wU:138.147,123.132,110.114,148.153,34.36,8.8,63.78,79.81,50.52,wD:132.138,114.123,99.110,50.98,42.44,20.20,4.3,68.70,88.90,63.65,c:60,(47.02,-30.4,;47.02,-28.86,;48.37,-28.09,;45.69,-28.09,;45.69,-26.55,;44.35,-25.77,;43.01,-26.55,;43.01,-28.09,;41.68,-25.77,;41.68,-24.23,;43.01,-23.46,;44.34,-24.23,;45.68,-23.46,;45.68,-21.92,;47.01,-21.15,;47.01,-19.61,;48.35,-21.92,;40.33,-26.55,;39,-25.77,;39,-24.23,;37.66,-26.55,;37.66,-28.09,;39,-28.86,;40.41,-28.24,;41.44,-29.39,;40.67,-30.73,;41.14,-32.2,;40.1,-33.35,;38.6,-33.02,;38.12,-31.55,;39.15,-30.41,;36.32,-25.77,;34.98,-26.55,;34.98,-28.09,;33.64,-25.77,;33.64,-24.23,;34.98,-23.45,;34.98,-21.91,;36.32,-24.23,;32.31,-26.55,;30.96,-25.77,;30.96,-24.23,;29.63,-26.55,;29.63,-28.09,;30.96,-28.86,;32.31,-28.09,;30.96,-30.4,;28.29,-25.77,;26.96,-26.55,;26.96,-28.09,;25.61,-25.77,;24.27,-25,;25.61,-24.23,;26.94,-23.46,;26.94,-21.92,;28.27,-21.14,;28.27,-19.6,;29.6,-18.83,;29.6,-17.29,;30.93,-16.52,;48.34,-18.84,;49.68,-19.61,;49.69,-21.15,;51.02,-21.91,;52.35,-22.68,;51.03,-23.45,;49.7,-24.23,;48.36,-23.46,;49.7,-25.77,;51.04,-26.53,;51.04,-28.07,;52.38,-28.84,;49.71,-28.85,;48.37,-26.55,;47.02,-25.77,;47.02,-24.23,;52.35,-21.14,;53.69,-21.9,;52.35,-19.6,;53.68,-18.82,;53.67,-17.28,;55,-16.51,;55,-14.97,;53.66,-14.2,;56.33,-14.2,;55.02,-19.59,;55.02,-21.13,;56.35,-18.81,;57.68,-19.58,;57.69,-21.12,;59.02,-21.89,;60.36,-21.11,;59.03,-23.43,;59.01,-18.81,;60.35,-19.57,;59.01,-17.27,;24.28,-26.55,;22.94,-25.77,;22.94,-24.23,;21.6,-26.55,;21.6,-28.09,;22.94,-28.86,;24.27,-28.09,;25.62,-28.87,;25.61,-30.41,;24.28,-31.18,;22.94,-30.41,;20.27,-25.77,;18.92,-26.55,;18.92,-28.09,;17.59,-25.77,;16.25,-26.55,;14.91,-25.77,;14.91,-24.23,;13.58,-26.55,;13.58,-28.09,;14.91,-28.86,;14.91,-30.4,;13.58,-31.18,;16.25,-31.18,;12.23,-25.77,;10.9,-26.55,;10.9,-28.09,;9.56,-25.77,;9.56,-24.23,;10.9,-23.45,;10.9,-21.91,;9.56,-21.13,;12.23,-21.13,;8.23,-26.55,;6.88,-25.77,;6.88,-24.23,;5.55,-26.55,;5.55,-28.09,;6.88,-28.86,;4.21,-25.77,;2.86,-26.55,;2.86,-28.09,;1.53,-25.77,;1.53,-24.23,;2.86,-23.45,;2.86,-21.91,;1.53,-21.13,;4.21,-21.13,;.19,-26.55,;-1.16,-25.78,;-2.49,-26.56,;-1.15,-24.24,;17.59,-24.23,;16.25,-23.45,;18.92,-23.45,)|
Show InChI InChI=1S/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-/m1/s1
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
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 |r|
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

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n/an/an/a 67n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HDM2


Nature 450: 1001-1009 (2007)


Article DOI: 10.1038/nature06526
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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)

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 |r|
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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
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=1S/C19H21NO6/c21-11-15-16(22)17(23)18(24)19(25-15)26-20-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-10,15-19,21-24H,11H2/b20-10+/t15?,16?,17-,18?,19-/m0/s1
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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
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 |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)/t27-,28+/m0/s1
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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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069801
PNG
(CHEMBL3407580)
Show SMILES CC(C)C[C@]1(N=CN(CC2CC2)[C@H]1c1ccc(Cl)cc1)C(=O)NCCc1ccncc1 |r,c:5|
Show InChI InChI=1/C25H31ClN4O/c1-18(2)15-25(24(31)28-14-11-19-9-12-27-13-10-19)23(21-5-7-22(26)8-6-21)30(17-29-25)16-20-3-4-20/h5-10,12-13,17-18,20,23H,3-4,11,14-16H2,1-2H3,(H,28,31)/t23-,25+/s2
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n/an/an/a 800n/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by fluorescence polarization assay


J Med Chem 58: 1038-52 (2015)


Article DOI: 10.1021/jm501092z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50272597
PNG
((trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo...)
Show SMILES OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m1/s1
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n/an/an/a 2.00E+3n/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
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50272597
PNG
((trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo...)
Show SMILES OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Binding affinity to human wild type Mdm2 by NMR ligand-protein binary titration


J Med Chem 51: 5035-42 (2008)


Article DOI: 10.1021/jm8002813
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31286
PNG
(benzodiazepinedione, 2)
Show SMILES OC(=O)[C@H](N1[C@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 4.80E+3n/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
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31286
PNG
(benzodiazepinedione, 2)
Show SMILES OC(=O)[C@H](N1[C@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 4.80E+3n/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
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50272597
PNG
((trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo...)
Show SMILES OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m1/s1
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n/an/an/a 8.00E+3n/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Binding affinity to human wild type Mdm2 by NMR ligand-protein binary titration


J Med Chem 51: 5035-42 (2008)


Article DOI: 10.1021/jm8002813
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50140250
PNG
(CHEMBL3754073)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])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)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](CCCNC(N)=N)C(=O)N[C@@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
Show InChI InChI=1/C97H140N28O24S4/c1-48(2)34-65(85(138)112-62(27-29-75(100)128)83(136)114-64(79(102)132)39-55-42-105-47-108-55)117-92(145)72-44-151-150-43-58(99)80(133)115-70(40-76(101)129)90(143)123-71-45-152-153-46-73(93(146)118-67(37-53-23-25-56(127)26-24-53)87(140)119-69(38-54-41-107-59-19-11-10-18-57(54)59)89(142)110-61(82(135)121-72)21-14-32-106-97(103)104)122-86(139)66(35-49(3)4)116-88(141)68(36-52-16-8-7-9-17-52)120-95(148)78(51(6)126)124-84(137)63(28-30-77(130)131)113-94(147)74-22-15-33-125(74)96(149)50(5)109-81(134)60(111-91(71)144)20-12-13-31-98/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,107,126-127H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,128)(H2,101,129)(H2,102,132)(H,105,108)(H,109,134)(H,110,142)(H,111,144)(H,112,138)(H,113,147)(H,114,136)(H,115,133)(H,116,141)(H,117,145)(H,118,146)(H,119,140)(H,120,148)(H,121,135)(H,122,139)(H,123,143)(H,124,137)(H,130,131)(H4,103,104,106)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/s2
PDB
MMDB

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n/an/an/a 1.77E+4n/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)

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


(Homo sapiens (Human))
BDBM50436121
PNG
(CHEMBL2397473)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]1CSSC[C@H]2NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]3CCCN3C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC2=O)C(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)[C@H](C)O |r,wU:17.17,4.4,125.130,113.117,82.85,71.73,58.60,46.47,37.38,99.102,wD:8.13,28.28,139.146,90.113,67.157,150.159,51.56,33.34,95.110,(13.5,-49.28,;15.04,-49.26,;15.03,-50.78,;15.79,-47.91,;17.32,-47.88,;18.09,-46.54,;17.3,-45.23,;15.75,-45.25,;18.06,-43.88,;19.57,-43.87,;20.38,-45.19,;21.91,-45.17,;22.66,-43.82,;22.69,-46.48,;17.26,-42.56,;18.02,-41.21,;19.54,-41.19,;17.23,-39.9,;17.99,-38.55,;15.68,-39.92,;14.94,-41.25,;15.57,-42.66,;14.46,-43.7,;13.11,-42.94,;13.41,-41.43,;18.13,-49.22,;19.65,-49.19,;17.36,-50.56,;18.16,-51.87,;19.7,-51.85,;20.48,-53.18,;32.81,-61.89,;33.53,-61.31,;34.76,-62.24,;34.56,-63.77,;33.14,-64.35,;31.9,-63.42,;32.94,-65.87,;34.16,-66.82,;35.58,-66.24,;36.8,-67.17,;38.22,-66.58,;39.45,-67.51,;31.51,-66.48,;31.31,-68.01,;32.53,-68.94,;29.88,-68.58,;29.68,-70.11,;29.41,-67.64,;27.24,-68.24,;27.04,-69.77,;26.02,-67.29,;26.31,-65.76,;24.72,-65.22,;23.72,-66.56,;24.66,-67.94,;24.26,-69.43,;25.37,-70.52,;22.78,-69.84,;22.39,-71.3,;20.89,-71.72,;20.5,-73.2,;21.59,-74.28,;19.01,-73.6,;21.7,-68.73,;20.21,-69.14,;19.82,-70.62,;19.12,-68.06,;17.62,-68.45,;16.55,-67.36,;16.94,-65.86,;15.06,-67.75,;14.66,-69.24,;15.74,-70.34,;15.35,-71.82,;16.45,-72.9,;17.94,-72.5,;18.33,-71.02,;17.23,-69.94,;13.96,-66.67,;12.48,-67.07,;12.08,-68.56,;11.39,-65.97,;9.91,-66.38,;9.51,-67.87,;8.02,-68.27,;10.59,-68.95,;11.79,-64.5,;13.28,-64.09,;14.37,-65.18,;13.68,-62.59,;15.16,-62.2,;16.25,-63.29,;37.69,-55.54,;38.41,-54.96,;39.64,-55.9,;39.44,-57.43,;38.01,-58.02,;36.79,-57.07,;37.82,-59.55,;39.04,-60.48,;40.45,-59.89,;41.4,-58.36,;41.67,-60.82,;36.38,-60.12,;36.19,-61.65,;37.41,-62.58,;41.06,-55.31,;42.06,-53.78,;42.28,-56.25,;12.89,-61.28,;11.35,-61.3,;10.59,-62.65,;10.56,-59.98,;9.01,-60,;8.27,-61.35,;6.72,-61.38,;5.98,-62.71,;6.75,-64.02,;6.01,-65.37,;8.3,-64.01,;9.04,-62.66,;11.32,-58.64,;10.52,-57.3,;8.98,-57.33,;11.28,-55.98,;10.49,-54.65,;8.94,-54.68,;8.08,-55.94,;6.6,-55.49,;6.56,-53.96,;5.38,-52.96,;5.68,-51.44,;7.12,-50.93,;8.3,-51.93,;8.01,-53.44,;12.83,-55.96,;13.57,-54.61,;12.79,-53.28,;15.11,-54.59,;15.89,-55.92,;17.44,-55.89,;18.23,-57.21,;19.77,-57.19,;20.56,-58.52,;22.1,-58.5,;19.81,-59.87,;15.86,-53.24,;17.39,-53.22,;18.2,-54.55,;19.51,-66.57,;18.43,-65.47,;21,-66.17,)|
Show InChI InChI=1S/C97H139N27O25S4/c1-48(2)34-64-84(136)116-67(36-52-16-8-7-9-17-52)89(141)123-78(51(6)125)94(146)112-63(28-30-77(129)130)95(147)124-33-15-22-74(124)93(145)108-50(5)79(131)109-60(20-12-13-31-98)82(134)119-71-44-151-150-43-70(120-85(137)65(35-49(3)4)113-83(135)62(27-29-75(100)127)110-80(132)58(99)39-55-42-104-47-107-55)90(142)111-61(21-14-32-105-97(102)103)81(133)117-68(38-54-41-106-59-19-11-10-18-57(54)59)87(139)115-66(37-53-23-25-56(126)26-24-53)86(138)121-72(91(143)114-64)45-152-153-46-73(96(148)149)122-88(140)69(40-76(101)128)118-92(71)144/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,108,145)(H,109,131)(H,110,132)(H,111,142)(H,112,146)(H,113,135)(H,114,143)(H,115,139)(H,116,136)(H,117,133)(H,118,144)(H,119,134)(H,120,137)(H,121,138)(H,122,140)(H,123,141)(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-/m1/s1
PDB
MMDB

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n/an/an/a 1.81E+4n/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
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436122
PNG
(CHEMBL2397471)
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 |r,wU:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,wD:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,(33.91,-36.23,;33.91,-37.77,;32.58,-38.54,;35.24,-38.54,;35.24,-40.08,;33.91,-40.85,;33.91,-42.39,;35.24,-43.16,;32.58,-43.16,;32.58,-44.7,;33.91,-45.47,;20.57,-54.73,;20.55,-56.27,;19.21,-57.02,;19.19,-58.56,;17.84,-59.31,;16.53,-58.52,;17.83,-60.85,;16.49,-61.6,;15.17,-60.81,;13.82,-61.56,;15.19,-59.27,;19.15,-61.64,;20.49,-60.89,;20.51,-59.35,;21.82,-61.66,;21.81,-63.2,;23.16,-60.91,;23.18,-59.37,;19.25,-43.16,;20.59,-42.39,;20.59,-40.85,;19.25,-40.08,;17.91,-40.85,;17.91,-42.39,;16.58,-40.08,;16.58,-38.54,;17.91,-37.77,;19.25,-38.54,;17.91,-36.23,;15.26,-40.85,;15.26,-42.39,;16.58,-43.16,;13.92,-43.16,;12.59,-42.39,;12.59,-40.85,;13.91,-40.09,;13.91,-38.54,;12.58,-37.77,;11.25,-38.54,;11.25,-40.09,;13.92,-44.7,;12.59,-45.47,;11.26,-44.7,;12.59,-47.01,;11.26,-47.78,;9.92,-47.01,;9.92,-45.47,;8.58,-47.78,;7.25,-47.01,;5.93,-47.78,;5.93,-49.31,;7.25,-50.08,;4.6,-50.08,;8.58,-49.31,;9.92,-50.08,;11.26,-49.31,;9.92,-51.62,;8.54,-52.33,;9.05,-53.93,;10.75,-53.9,;11.27,-52.31,;12.61,-51.57,;12.62,-50.03,;13.93,-52.34,;15.28,-51.58,;13.92,-53.87,;15.24,-54.65,;16.57,-53.91,;15.21,-56.19,;13.87,-56.95,;13.86,-58.49,;12.52,-59.26,;12.5,-60.79,;11.17,-61.55,;16.55,-56.98,;17.89,-56.23,;17.9,-54.7,;13.92,-47.78,;13.92,-49.31,;15.26,-47.01,;21.92,-40.08,;21.92,-38.54,;23.25,-40.85,;23.25,-42.39,;21.92,-43.16,;21.92,-44.7,;23.26,-45.48,;23.27,-47.02,;21.94,-47.79,;21.94,-49.32,;20.59,-47.02,;20.59,-45.47,;24.58,-43.16,;24.58,-44.7,;25.92,-42.39,;25.92,-40.85,;24.58,-40.08,;24.49,-38.09,;23.29,-37.29,;23.64,-35.79,;25.17,-35.65,;26.08,-34.42,;27.62,-34.61,;28.21,-36.03,;27.31,-37.24,;25.78,-37.07,;27.24,-40.08,;27.24,-38.54,;28.58,-40.85,;29.92,-40.08,;29.92,-38.54,;31.26,-37.77,;31.26,-36.23,;32.58,-35.46,;32.58,-33.93,;33.91,-33.16,;31.26,-33.16,;31.26,-40.85,;32.58,-40.08,;31.26,-42.39,;36.58,-40.85,;36.58,-42.39,;37.9,-40.08,;39.25,-40.85,;40.58,-40.08,;40.58,-38.54,;39.25,-37.77,;39.25,-36.23,;37.9,-38.54,;39.25,-42.39,;40.58,-43.16,;37.9,-43.16,;37.9,-44.7,;39.25,-45.47,;39.25,-47.01,;37.99,-47.91,;38.47,-49.37,;40.02,-49.37,;40.5,-47.91,;36.58,-45.47,;36.58,-47.01,;35.24,-44.7,)|
Show InChI InChI=1S/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-/m1/s1
PDB
MMDB

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n/an/an/a 2.65E+4n/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
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31274
PNG
(Chalcone derivative, B)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-4-12(9-15(14)19)16(20)8-3-11-1-5-13(6-2-11)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-3+
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MMDB

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n/an/an/a 9.00E+4n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)

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


(Homo sapiens (Human))
BDBM31275
PNG
(Chalcone derivative, B-1)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-1-11(9-15(14)19)2-8-16(20)12-3-5-13(6-4-12)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-2+
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n/an/an/a 1.50E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)

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


(Homo sapiens (Human))
BDBM31273
PNG
(Chalcone derivative, A)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H13ClO4/c18-14-6-4-13(5-7-14)16(19)10-3-12-1-8-15(9-2-12)22-11-17(20)21/h1-10H,11H2,(H,20,21)/b10-3+
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n/an/an/a 2.20E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)

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


(Homo sapiens (Human))
BDBM31276
PNG
(Chalcone derivative, C)
Show SMILES CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H17ClO4/c1-19(2,18(22)23)24-16-10-3-13(4-11-16)5-12-17(21)14-6-8-15(20)9-7-14/h3-12H,1-2H3,(H,22,23)/b12-5+
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n/an/an/a 2.44E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)

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


(Homo sapiens (Human))
BDBM31282
PNG
(Chalcone derivative, L)
Show SMILES CCC(C)Cc1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H16Cl2O3/c1-3-8(2)6-9-4-5-10(13(15)12(9)14)18-7-11(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
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n/an/an/a 2.50E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)

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


(Homo sapiens (Human))
BDBM31283
PNG
(Chalcone derivative, N)
Show SMILES OC(=O)COc1c(Br)cc(\C=C\C(=O)c2ccc3ccccc3c2)cc1Br
Show InChI InChI=1S/C21H14Br2O4/c22-17-9-13(10-18(23)21(17)27-12-20(25)26)5-8-19(24)16-7-6-14-3-1-2-4-15(14)11-16/h1-11H,12H2,(H,25,26)/b8-5+
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n/an/an/a 2.70E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)

More data for this
Ligand-Target Pair