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PubMed code 26115576

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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))		BDBM50126118
PNG
(CHEMBL3627747)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H25IN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/m0/s1
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 360n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126117
PNG
(CHEMBL3627746)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H25BrN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/m0/s1
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 690n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126119
PNG
(CHEMBL3627748)
Show SMILES COc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1S/C29H28N4O5/c1-37-20-14-12-19(13-15-20)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)38-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/m0/s1
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 710n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126112
PNG
(CHEMBL3627750)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/m1/s1
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PubMed
 1.82E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126114
PNG
(CHEMBL3627743)
Show SMILES Cc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1S/C29H28N4O4/c1-19-12-14-20(15-13-19)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)37-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/m0/s1
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 3.05E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126115
PNG
(CHEMBL3627744)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/m0/s1
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 6.96E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126113
PNG
(CHEMBL3627749)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/m0/s1
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PubMed
 7.22E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
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/a 610n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126118
PNG
(CHEMBL3627747)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H25IN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126117
PNG
(CHEMBL3627746)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H25BrN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/m0/s1
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n/an/a 5.51E+3n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126119
PNG
(CHEMBL3627748)
Show SMILES COc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1S/C29H28N4O5/c1-37-20-14-12-19(13-15-20)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)38-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/m0/s1
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n/an/a 5.66E+3n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126112
PNG
(CHEMBL3627750)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126114
PNG
(CHEMBL3627743)
Show SMILES Cc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1S/C29H28N4O4/c1-19-12-14-20(15-13-19)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)37-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/m0/s1
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n/an/a 2.43E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126115
PNG
(CHEMBL3627744)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/m0/s1
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n/an/a 4.98E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50126113
PNG
(CHEMBL3627749)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/m0/s1
PDB
MMDB

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n/an/a 5.74E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...

Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%