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Compile Data Set for Download or QSAR

Found 843 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
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=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

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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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


(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=1S/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/an/an/a



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


(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=1S/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<1.00E+3n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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


(Homo sapiens (Human))
BDBM207984
PNG
(3,5-Di(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl3NO3/c27-17-5-1-15(2-6-17)11-21-24(22-14-30-23-12-19(29)9-10-20(22)23)26(32,33-25(21)31)13-16-3-7-18(28)8-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a<1.00E+3n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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


(Homo sapiens (Human))
BDBM207988
PNG
(5-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-3-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H16Cl3NO3/c26-16-5-1-14(2-6-16)12-25(31)23(20-13-29-21-11-18(28)9-10-19(20)21)22(24(30)32-25)15-3-7-17(27)8-4-15/h1-11,13,29,31H,12H2
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n/an/an/a 1.30E+3n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207985
PNG
(4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl3NO3/c27-17-5-1-15(2-6-17)11-22-24(21-14-30-23-12-19(29)9-10-20(21)23)25(31)33-26(22,32)13-16-3-7-18(28)8-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a 1.50E+3n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207983
PNG
(N-(4-Chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C25H17Cl3N2O2/c26-16-5-1-14(2-6-16)13-30-24(31)22(15-3-7-17(27)8-4-15)23(25(30)32)20-12-29-21-11-18(28)9-10-19(20)21/h1-12,24,29,31H,13H2
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n/an/an/a 2.10E+3n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207984
PNG
(3,5-Di(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl3NO3/c27-17-5-1-15(2-6-17)11-21-24(22-14-30-23-12-19(29)9-10-20(22)23)26(32,33-25(21)31)13-16-3-7-18(28)8-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a 3.10E+3n/an/an/an/an/a



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


(Homo sapiens (Human))
BDBM207989
PNG
(5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C25H16Cl3NO3/c26-16-5-1-14(2-6-16)12-25(31)23(15-3-7-17(27)8-4-15)22(24(30)32-25)20-13-29-21-11-18(28)9-10-19(20)21/h1-11,13,29,31H,12H2
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n/an/an/a 7.00E+3n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207986
PNG
(3-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-(4...)
Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl2FNO3/c27-17-5-1-15(2-6-17)11-21-24(22-14-30-23-12-18(28)7-10-20(22)23)26(32,33-25(21)31)13-16-3-8-19(29)9-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a 1.80E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207978
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H19Cl3N2O2/c1-31-25(32)23(16-4-8-18(28)9-5-16)24(21-14-30-22-12-19(29)10-11-20(21)22)26(31,33)13-15-2-6-17(27)7-3-15/h2-12,14,30,33H,13H2,1H3
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n/an/an/a 1.87E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207982
PNG
(N-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)- 3-(...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H17Cl3N2O2/c26-16-5-1-14(2-6-16)13-30-24(31)22(15-3-7-17(27)8-4-15)23(25(30)32)20-12-29-21-11-18(28)9-10-19(20)21/h1-12,25,29,32H,13H2
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n/an/an/a 2.44E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207987
PNG
(4-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-5-(4...)
Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl2FNO3/c27-17-5-1-15(2-6-17)11-22-24(21-14-30-23-12-18(28)7-10-20(21)23)25(31)33-26(22,32)13-16-3-8-19(29)9-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a 2.60E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207979
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H19Cl3N2O2/c1-31-25(32)23(21-14-30-22-12-19(29)10-11-20(21)22)24(16-4-8-18(28)9-5-16)26(31,33)13-15-2-6-17(27)7-3-15/h2-12,14,30,33H,13H2,1H3
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n/an/an/a 2.77E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207986
PNG
(3-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-(4...)
Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl2FNO3/c27-17-5-1-15(2-6-17)11-21-24(22-14-30-23-12-18(28)7-10-20(22)23)26(32,33-25(21)31)13-16-3-8-19(29)9-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a 2.87E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207981
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1cn(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)24-25(17-5-9-19(29)10-6-17)27(34,32(2)26(24)33)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 3.04E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207983
PNG
(N-(4-Chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C25H17Cl3N2O2/c26-16-5-1-14(2-6-16)13-30-24(31)22(15-3-7-17(27)8-4-15)23(25(30)32)20-12-29-21-11-18(28)9-10-19(20)21/h1-12,24,29,31H,13H2
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n/an/an/a 4.00E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207980
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2cn(C)c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)25-24(17-5-9-19(29)10-6-17)26(33)32(2)27(25,34)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 4.05E+4n/an/an/an/an/a



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
Mdm2


(Homo sapiens (Human))
BDBM207978
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H19Cl3N2O2/c1-31-25(32)23(16-4-8-18(28)9-5-16)24(21-14-30-22-12-19(29)10-11-20(21)22)26(31,33)13-15-2-6-17(27)7-3-15/h2-12,14,30,33H,13H2,1H3
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n/an/an/a 5.10E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207977
PNG
(N-methyl-4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-ind...)
Show SMILES CN1C(=O)C(=C(Cc2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C27H21Cl3N2O2/c1-32-26(33)25(22-15-31-24-13-20(30)10-11-21(22)24)23(12-16-2-6-18(28)7-3-16)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 5.60E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207988
PNG
(5-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-3-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H16Cl3NO3/c26-16-5-1-14(2-6-16)12-25(31)23(20-13-29-21-11-18(28)9-10-19(20)21)22(24(30)32-25)15-3-7-17(27)8-4-15/h1-11,13,29,31H,12H2
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n/an/an/a 6.00E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207989
PNG
(5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C25H16Cl3NO3/c26-16-5-1-14(2-6-16)12-25(31)23(15-3-7-17(27)8-4-15)22(24(30)32-25)20-13-29-21-11-18(28)9-10-19(20)21/h1-11,13,29,31H,12H2
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n/an/an/a 6.80E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207985
PNG
(4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H18Cl3NO3/c27-17-5-1-15(2-6-17)11-22-24(21-14-30-23-12-19(29)9-10-20(21)23)25(31)33-26(22,32)13-16-3-7-18(28)8-4-16/h1-10,12,14,30,32H,11,13H2
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n/an/an/a 8.60E+4n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207982
PNG
(N-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)- 3-(...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H17Cl3N2O2/c26-16-5-1-14(2-6-16)13-30-24(31)22(15-3-7-17(27)8-4-15)23(25(30)32)20-12-29-21-11-18(28)9-10-19(20)21/h1-12,25,29,32H,13H2
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n/an/an/a 1.64E+5n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207979
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C26H19Cl3N2O2/c1-31-25(32)23(21-14-30-22-12-19(29)10-11-20(21)22)24(16-4-8-18(28)9-5-16)26(31,33)13-15-2-6-17(27)7-3-15/h2-12,14,30,33H,13H2,1H3
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n/an/an/a 1.92E+5n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207981
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1cn(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)24-25(17-5-9-19(29)10-6-17)27(34,32(2)26(24)33)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 2.46E+5n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
Mdm2


(Homo sapiens (Human))
BDBM207980
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2cn(C)c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)25-24(17-5-9-19(29)10-6-17)26(33)32(2)27(25,34)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 3.65E+5n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


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
E3 ubiquitin-protein ligase Mdm2


(Canis lupus familiaris)
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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11n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dog MDM2 by TR-FRET assay


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


(Mus musculus)
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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20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MDM2 by TR-FRET assay


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


(Canis lupus familiaris)
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=1S/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-/m0/s1
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21n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dog MDM2 by TR-FRET assay


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


(Mus musculus)
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=1S/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-/m0/s1
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66n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MDM2 by TR-FRET assay


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)
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35083
PNG
(N-acylpolyamine (NAPA) scaffold, 34)
Show SMILES CC(C)CCC(=O)N[C@@H](CCCC(O)=O)CN([C@@H](CCCCN)CN([C@@H](CCCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C56H89BrFN9O9/c1-41(2)21-30-51(69)64-47(16-8-19-52(70)71)38-66(55(75)62-35-10-14-42-12-4-3-5-13-42)49(17-6-7-33-59)40-67(56(76)63-36-31-44-22-26-45(57)27-23-44)48(18-9-20-53(72)73)39-65(37-32-50(60)68)54(74)61-34-11-15-43-24-28-46(58)29-25-43/h22-29,41-42,47-49H,3-21,30-40,59H2,1-2H3,(H2,60,68)(H,61,74)(H,62,75)(H,63,76)(H,64,69)(H,70,71)(H,72,73)/t47-,48-,49-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35084
PNG
(N-acylpolyamine (NAPA) scaffold, 35)
Show SMILES NCCCC[C@@H](CN([C@@H](CCCCN)CN([C@@H](CCCCN)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1)NC(N)=O
Show InChI InChI=1S/C51H86BrFN12O5/c52-42-23-19-41(20-24-42)27-34-61-51(70)65(45(17-5-8-30-55)37-63(35-28-47(57)66)49(68)59-32-11-15-40-21-25-43(53)26-22-40)38-46(18-6-9-31-56)64(36-44(62-48(58)67)16-4-7-29-54)50(69)60-33-10-14-39-12-2-1-3-13-39/h19-26,39,44-46H,1-18,27-38,54-56H2,(H2,57,66)(H,59,68)(H,60,69)(H,61,70)(H3,58,62,67)/t44-,45-,46-/m0/s1
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NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35085
PNG
(N-acylpolyamine (NAPA) scaffold, 36)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(CCCCCC1CCCCC1)C(CCCCN)CN(CCCCc1ccc(Br)cc1)C(CCC(O)=O)CN(CCCCCc1ccc(F)cc1)CCC(N)=O
Show InChI InChI=1S/C57H94BrFN6O6/c1-45(2)22-33-55(67)62-51(31-34-56(68)69)42-64(39-14-5-9-18-46-16-6-3-7-17-46)52(21-10-12-37-60)44-65(40-15-11-20-47-23-27-49(58)28-24-47)53(32-35-57(70)71)43-63(41-36-54(61)66)38-13-4-8-19-48-25-29-50(59)30-26-48/h23-30,45-46,51-53H,3-22,31-44,60H2,1-2H3,(H2,61,66)(H,62,67)(H,68,69)(H,70,71)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35061
PNG
(N-acylpolyamine (NAPA) scaffold, 8)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C45H70Br2N10O9/c1-31(2)6-5-24-51-44(65)56(28-36(54-42(50)63)16-18-40(59)60)37(7-3-4-23-48)30-57(45(66)53-26-21-33-10-14-35(47)15-11-33)38(17-19-41(61)62)29-55(27-22-39(49)58)43(64)52-25-20-32-8-12-34(46)13-9-32/h8-15,31,36-38H,3-7,16-30,48H2,1-2H3,(H2,49,58)(H,51,65)(H,52,64)(H,53,66)(H,59,60)(H,61,62)(H3,50,54,63)
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n/an/a 4.10E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35062
PNG
(N-acylpolyamine (NAPA) scaffold, 9)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C46H72Br2N10O9/c1-32(2)7-5-25-53-45(66)57(29-37(55-43(51)64)18-20-41(60)61)38(9-3-4-24-49)31-58(46(67)54-27-22-34-12-16-36(48)17-13-34)39(19-21-42(62)63)30-56(28-23-40(50)59)44(65)52-26-6-8-33-10-14-35(47)15-11-33/h10-17,32,37-39H,3-9,18-31,49H2,1-2H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a 2.40E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35063
PNG
(N-acylpolyamine (NAPA) scaffold, 10)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(C)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C47H75BrN10O9/c1-33(2)8-6-26-53-46(66)57(30-38(55-44(51)64)19-21-42(60)61)39(10-4-5-25-49)32-58(47(67)54-28-23-36-15-17-37(48)18-16-36)40(20-22-43(62)63)31-56(29-24-41(50)59)45(65)52-27-7-9-35-13-11-34(3)12-14-35/h11-18,33,38-40H,4-10,19-32,49H2,1-3H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a 3.60E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35064
PNG
(N-acylpolyamine (NAPA) scaffold, 11)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C46H72BrN11O11/c1-32(2)7-5-25-52-45(66)56(29-36(54-43(50)64)16-20-41(60)61)38(9-3-4-24-48)31-57(46(67)53-27-22-34-10-14-35(47)15-11-34)39(19-21-42(62)63)30-55(28-23-40(49)59)44(65)51-26-6-8-33-12-17-37(18-13-33)58(68)69/h10-15,17-18,32,36,38-39H,3-9,16,19-31,48H2,1-2H3,(H2,49,59)(H,51,65)(H,52,66)(H,53,67)(H,60,61)(H,62,63)(H3,50,54,64)
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n/an/a 5.90E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35065
PNG
(N-acylpolyamine (NAPA) scaffold, 12)
Show SMILES COc1ccc(CCCNC(=O)N(CCC(N)=O)CC(CCC(O)=O)N(CC(CCCCN)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC(C)C)C(=O)NCCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C47H75BrN10O10/c1-33(2)8-6-26-53-46(66)57(30-37(55-44(51)64)17-21-42(60)61)38(10-4-5-25-49)32-58(47(67)54-28-23-35-11-15-36(48)16-12-35)39(18-22-43(62)63)31-56(29-24-41(50)59)45(65)52-27-7-9-34-13-19-40(68-3)20-14-34/h11-16,19-20,33,37-39H,4-10,17-18,21-32,49H2,1-3H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35066
PNG
(N-acylpolyamine (NAPA) scaffold, 13)
Show SMILES CC(C)CCCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C47H74Br2N10O9/c1-33(2)8-4-6-26-54-46(67)58(30-38(56-44(52)65)19-21-42(61)62)39(10-3-5-25-50)32-59(47(68)55-28-23-35-13-17-37(49)18-14-35)40(20-22-43(63)64)31-57(29-24-41(51)60)45(66)53-27-7-9-34-11-15-36(48)16-12-34/h11-18,33,38-40H,3-10,19-32,50H2,1-2H3,(H2,51,60)(H,53,66)(H,54,67)(H,55,68)(H,61,62)(H,63,64)(H3,52,56,65)
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n/an/a 1.30E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35067
PNG
(N-acylpolyamine (NAPA) scaffold, 14)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C49H70Br2N10O9/c50-38-17-13-36(14-18-38)11-7-28-55-47(68)59(31-26-43(53)62)33-42(22-24-45(65)66)61(49(70)57-30-25-37-15-19-39(51)20-16-37)34-41(12-4-5-27-52)60(32-40(58-46(54)67)21-23-44(63)64)48(69)56-29-6-10-35-8-2-1-3-9-35/h1-3,8-9,13-20,40-42H,4-7,10-12,21-34,52H2,(H2,53,62)(H,55,68)(H,56,69)(H,57,70)(H,63,64)(H,65,66)(H3,54,58,67)
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n/an/a 2.00E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35068
PNG
(N-acylpolyamine (NAPA) scaffold, 15)
Show SMILES COc1ccc(CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc2ccc(Br)cc2)C(=O)NCCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C50H72Br2N10O10/c1-72-43-21-13-36(14-22-43)7-5-29-57-49(70)61(32-40(59-47(55)68)19-23-45(64)65)41(8-2-3-27-53)34-62(50(71)58-30-25-37-11-17-39(52)18-12-37)42(20-24-46(66)67)33-60(31-26-44(54)63)48(69)56-28-4-6-35-9-15-38(51)16-10-35/h9-18,21-22,40-42H,2-8,19-20,23-34,53H2,1H3,(H2,54,63)(H,56,69)(H,57,70)(H,58,71)(H,64,65)(H,66,67)(H3,55,59,68)
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n/an/a 1.20E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35069
PNG
(N-acylpolyamine (NAPA) scaffold, 16)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C49H69Br2N11O11/c50-37-14-8-34(9-15-37)5-3-27-55-47(69)59(30-25-43(53)63)32-42(21-23-45(66)67)61(49(71)57-29-24-36-10-16-38(51)17-11-36)33-41(7-1-2-26-52)60(31-39(58-46(54)68)18-22-44(64)65)48(70)56-28-4-6-35-12-19-40(20-13-35)62(72)73/h8-17,19-20,39,41-42H,1-7,18,21-33,52H2,(H2,53,63)(H,55,69)(H,56,70)(H,57,71)(H,64,65)(H,66,67)(H3,54,58,68)
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n/an/a 8.10E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35070
PNG
(N-acylpolyamine (NAPA) scaffold, 17)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(Br)cc1
Show InChI InChI=1S/C49H69Br3N10O9/c50-37-14-8-34(9-15-37)5-3-27-56-47(69)60(30-25-43(54)63)32-42(21-23-45(66)67)62(49(71)58-29-24-36-12-18-39(52)19-13-36)33-41(7-1-2-26-53)61(31-40(59-46(55)68)20-22-44(64)65)48(70)57-28-4-6-35-10-16-38(51)17-11-35/h8-19,40-42H,1-7,20-33,53H2,(H2,54,63)(H,56,69)(H,57,70)(H,58,71)(H,64,65)(H,66,67)(H3,55,59,68)
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n/an/a 7.50E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35071
PNG
(N-acylpolyamine (NAPA) scaffold, 18)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C49H76Br2N10O9/c50-38-17-13-36(14-18-38)11-7-28-55-47(68)59(31-26-43(53)62)33-42(22-24-45(65)66)61(49(70)57-30-25-37-15-19-39(51)20-16-37)34-41(12-4-5-27-52)60(32-40(58-46(54)67)21-23-44(63)64)48(69)56-29-6-10-35-8-2-1-3-9-35/h13-20,35,40-42H,1-12,21-34,52H2,(H2,53,62)(H,55,68)(H,56,69)(H,57,70)(H,63,64)(H,65,66)(H3,54,58,67)
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n/an/a 6.50E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35072
PNG
(N-acylpolyamine (NAPA) scaffold, 19)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)Nc1ccccc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C55H80Br2N10O9/c56-43-22-18-41(19-23-43)14-10-33-60-53(74)65(36-31-49(59)68)38-48(27-29-51(71)72)67(55(76)62-35-30-42-20-24-44(57)25-21-42)39-47(17-7-8-32-58)66(54(75)61-34-9-13-40-11-3-1-4-12-40)37-46(26-28-50(69)70)64-52(73)63-45-15-5-2-6-16-45/h2,5-6,15-16,18-25,40,46-48H,1,3-4,7-14,17,26-39,58H2,(H2,59,68)(H,60,74)(H,61,75)(H,62,76)(H,69,70)(H,71,72)(H2,63,64,73)
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n/an/a 7.60E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35073
PNG
(N-acylpolyamine (NAPA) scaffold, 20)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC=C)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C52H80Br2N10O9/c1-2-30-57-49(70)61-43(23-25-47(66)67)35-63(51(72)59-32-8-12-38-10-4-3-5-11-38)44(14-6-7-29-55)37-64(52(73)60-33-27-40-17-21-42(54)22-18-40)45(24-26-48(68)69)36-62(34-28-46(56)65)50(71)58-31-9-13-39-15-19-41(53)20-16-39/h2,15-22,38,43-45H,1,3-14,23-37,55H2,(H2,56,65)(H,58,71)(H,59,72)(H,60,73)(H,66,67)(H,68,69)(H2,57,61,70)
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n/an/a 1.00E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35074
PNG
(N-acylpolyamine (NAPA) scaffold, 21)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC1CCCCC1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C56H88Br2N10O9/c57-45-22-18-42(19-23-45)16-10-33-61-54(75)66(36-31-50(60)69)39-49(27-29-52(72)73)68(56(77)63-35-30-43-20-24-46(58)25-21-43)40-48(17-7-8-32-59)67(55(76)62-34-9-15-41-11-3-1-4-12-41)38-47(26-28-51(70)71)65-53(74)64-37-44-13-5-2-6-14-44/h18-25,41,44,47-49H,1-17,26-40,59H2,(H2,60,69)(H,61,75)(H,62,76)(H,63,77)(H,70,71)(H,72,73)(H2,64,65,74)
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n/an/a 8.00E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35075
PNG
(N-acylpolyamine (NAPA) scaffold, 22)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)[C@@H]1CCCN1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C53H82Br2N10O9/c54-41-19-15-39(16-20-41)12-7-31-59-51(72)63(34-28-47(57)66)36-45(24-26-49(69)70)65(53(74)61-33-27-40-17-21-42(55)22-18-40)37-44(13-4-5-29-56)64(52(73)60-32-6-11-38-9-2-1-3-10-38)35-43(23-25-48(67)68)62-50(71)46-14-8-30-58-46/h15-22,38,43-46,58H,1-14,23-37,56H2,(H2,57,66)(H,59,72)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H,69,70)/t43?,44?,45?,46-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM35076
PNG
(N-acylpolyamine (NAPA) scaffold, 23)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C54H85Br2N9O9/c1-39(2)15-26-49(67)62-45(24-27-50(68)69)36-64(53(73)60-33-8-12-40-10-4-3-5-11-40)46(14-6-7-31-57)38-65(54(74)61-34-29-42-18-22-44(56)23-19-42)47(25-28-51(70)71)37-63(35-30-48(58)66)52(72)59-32-9-13-41-16-20-43(55)21-17-41/h16-23,39-40,45-47H,3-15,24-38,57H2,1-2H3,(H2,58,66)(H,59,72)(H,60,73)(H,61,74)(H,62,67)(H,68,69)(H,70,71)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
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