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Compile Data Set for Download or QSAR

Found 849 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
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/a7.415



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))
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/a7.415



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 5.10E+4n/an/an/a7.415



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/a7.415



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/a7.415



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/a7.415



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/a7.415



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))
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/a7.415



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))
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/a7.415



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))
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/a7.415



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))
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/a7.415



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/a7.415



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/a7.415



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))
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mdm2


(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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mdm2


(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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
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/a7.425



Jagiellonian University



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


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215050
PNG
(US9296736, 1)
Show SMILES CC[C@H](N1[C@@H](C(C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H31Cl2NO5/c1-5-22(26(34)35-27(2,3)4)30-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(30)33)15-23(31)32/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,31,32)/t18-,21?,22+,24-/m1/s1
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n/an/a 40n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215051
PNG
(US9296736, 2 | US9593129, Example 2)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H31Cl2NO5/c1-5-22(26(34)35-27(2,3)4)30-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(30)33)15-23(31)32/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,31,32)/t18-,21+,22-,24+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215052
PNG
(US9296736, 3)
Show SMILES CCOC(=O)[C@H](CC)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27Cl2NO5/c1-3-21(25(32)33-4-2)28-23(15-8-10-18(26)11-9-15)20(16-6-5-7-19(27)12-16)13-17(24(28)31)14-22(29)30/h5-12,17,20-21,23H,3-4,13-14H2,1-2H3,(H,29,30)/t17-,20-,21+,23?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215053
PNG
(US9296736, 4)
Show SMILES CCOC(=O)[C@H](CC(C)C)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H31Cl2NO5/c1-4-35-27(34)23(12-16(2)3)30-25(17-8-10-20(28)11-9-17)22(18-6-5-7-21(29)13-18)14-19(26(30)33)15-24(31)32/h5-11,13,16,19,22-23,25H,4,12,14-15H2,1-3H3,(H,31,32)/t19-,22-,23+,25?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215054
PNG
(US9296736, 5)
Show SMILES CCC[C@H](N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OCC
Show InChI InChI=1S/C26H29Cl2NO5/c1-3-6-22(26(33)34-4-2)29-24(16-9-11-19(27)12-10-16)21(17-7-5-8-20(28)13-17)14-18(25(29)32)15-23(30)31/h5,7-13,18,21-22,24H,3-4,6,14-15H2,1-2H3,(H,30,31)/t18-,21-,22+,24?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215055
PNG
(US9296736, 6 | US9593129, Example 6)
Show SMILES CCOC(=O)[C@H](C1CC1)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27Cl2NO5/c1-2-34-26(33)24(16-6-7-16)29-23(15-8-10-19(27)11-9-15)21(17-4-3-5-20(28)12-17)13-18(25(29)32)14-22(30)31/h3-5,8-12,16,18,21,23-24H,2,6-7,13-14H2,1H3,(H,30,31)/t18-,21-,23-,24+/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215056
PNG
(US9296736, 7)
Show SMILES CC[C@@H](CO)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25Cl2NO4/c1-2-19(13-27)26-22(14-6-8-17(24)9-7-14)20(15-4-3-5-18(25)10-15)11-16(23(26)30)12-21(28)29/h3-10,16,19-20,22,27H,2,11-13H2,1H3,(H,28,29)/t16-,19+,20-,22?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215057
PNG
(US9296736, 8 | US9593129, Example 8)
Show SMILES OC[C@H](C1CC1)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25Cl2NO4/c25-18-8-6-15(7-9-18)23-20(16-2-1-3-19(26)10-16)11-17(12-22(29)30)24(31)27(23)21(13-28)14-4-5-14/h1-3,6-10,14,17,20-21,23,28H,4-5,11-13H2,(H,29,30)/t17-,20-,21-,23-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215058
PNG
(US9296736, 9)
Show SMILES CC[C@@H](COCC1CC1)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H31Cl2NO4/c1-2-23(16-34-15-17-6-7-17)30-26(18-8-10-21(28)11-9-18)24(19-4-3-5-22(29)12-19)13-20(27(30)33)14-25(31)32/h3-5,8-12,17,20,23-24,26H,2,6-7,13-16H2,1H3,(H,31,32)/t20-,23+,24-,26?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215059
PNG
(US9296736, 10)
Show SMILES CC[C@@H](COC)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27Cl2NO4/c1-3-20(14-31-2)27-23(15-7-9-18(25)10-8-15)21(16-5-4-6-19(26)11-16)12-17(24(27)30)13-22(28)29/h4-11,17,20-21,23H,3,12-14H2,1-2H3,(H,28,29)/t17-,20+,21-,23?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215060
PNG
(US9296736, 11)
Show SMILES CC[C@@H](COCCOC)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31Cl2NO5/c1-3-22(16-34-12-11-33-2)29-25(17-7-9-20(27)10-8-17)23(18-5-4-6-21(28)13-18)14-19(26(29)32)15-24(30)31/h4-10,13,19,22-23,25H,3,11-12,14-16H2,1-2H3,(H,30,31)/t19-,22+,23-,25?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215061
PNG
(US9296736, 12)
Show SMILES CC[C@@H](COCC1(CC1)C#N)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N2O4/c1-2-23(15-36-17-28(16-31)10-11-28)32-26(18-6-8-21(29)9-7-18)24(19-4-3-5-22(30)12-19)13-20(27(32)35)14-25(33)34/h3-9,12,20,23-24,26H,2,10-11,13-15,17H2,1H3,(H,33,34)/t20-,23+,24-,26?/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215062
PNG
(US9296736, 13 | US9593129, Example 13)
Show SMILES CC[C@@H](COCC1CC1)N1[C@@H]([C@H](C[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H31Cl2NO4/c1-2-23(16-34-15-17-6-7-17)30-26(18-8-10-21(28)11-9-18)24(19-4-3-5-22(29)12-19)13-20(27(30)33)14-25(31)32/h3-5,8-12,17,20,23-24,26H,2,6-7,13-16H2,1H3,(H,31,32)/t20-,23-,24+,26+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215063
PNG
(US9296736, 14 | US9593129, Example 14)
Show SMILES CC[C@@H](COC)N1[C@@H]([C@H](C[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27Cl2NO4/c1-3-20(14-31-2)27-23(15-7-9-18(25)10-8-15)21(16-5-4-6-19(26)11-16)12-17(24(27)30)13-22(28)29/h4-11,17,20-21,23H,3,12-14H2,1-2H3,(H,28,29)/t17-,20-,21+,23+/m0/s1
PDB
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US Patent
n/an/a 290n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215064
PNG
(US9296736, 15 | US9593129, Example 15)
Show SMILES CC[C@@H](COCCOC)N1[C@@H]([C@H](C[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31Cl2NO5/c1-3-22(16-34-12-11-33-2)29-25(17-7-9-20(27)10-8-17)23(18-5-4-6-21(28)13-18)14-19(26(29)32)15-24(30)31/h4-10,13,19,22-23,25H,3,11-12,14-16H2,1-2H3,(H,30,31)/t19-,22-,23+,25+/m0/s1
PDB
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US Patent
n/an/a 240n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215065
PNG
(US9296736, 16)
Show SMILES CC[C@@H](COCC1(CC1)C(N)=O)N1C([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32Cl2N2O5/c1-2-22(15-37-16-28(10-11-28)27(31)36)32-25(17-6-8-20(29)9-7-17)23(18-4-3-5-21(30)12-18)13-19(26(32)35)14-24(33)34/h3-9,12,19,22-23,25H,2,10-11,13-16H2,1H3,(H2,31,36)(H,33,34)/t19-,22+,23-,25?/m1/s1
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n/an/a 70n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215066
PNG
(US9296736, 17)
Show SMILES CC[C@@H](COCC1(CC1)C(N)=O)N1C([C@H](C[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32Cl2N2O5/c1-2-22(15-37-16-28(10-11-28)27(31)36)32-25(17-6-8-20(29)9-7-17)23(18-4-3-5-21(30)12-18)13-19(26(32)35)14-24(33)34/h3-9,12,19,22-23,25H,2,10-11,13-16H2,1H3,(H2,31,36)(H,33,34)/t19-,22-,23+,25?/m0/s1
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n/an/a 240n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215067
PNG
(US9296736, 18)
Show SMILES CC[C@@H](COCC(C)(C)O)N1C([C@H](C[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2NO5/c1-4-22(15-35-16-27(2,3)34)30-25(17-8-10-20(28)11-9-17)23(18-6-5-7-21(29)12-18)13-19(26(30)33)14-24(31)32/h5-12,19,22-23,25,34H,4,13-16H2,1-3H3,(H,31,32)/t19-,22-,23+,25?/m0/s1
PDB
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n/an/a 110n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215068
PNG
(US9296736, 19 | US9296736, 20 | US9593129, Example...)
Show SMILES CC[C@@H](C(O)C(F)(F)F)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24Cl2F3NO4/c1-2-19(22(33)24(27,28)29)30-21(13-6-8-16(25)9-7-13)18(14-4-3-5-17(26)10-14)11-15(23(30)34)12-20(31)32/h3-10,15,18-19,21-22,33H,2,11-12H2,1H3,(H,31,32)/t15-,18-,19+,21-,22?/m1/s1
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n/an/a 10n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215068
PNG
(US9296736, 19 | US9296736, 20 | US9593129, Example...)
Show SMILES CC[C@@H](C(O)C(F)(F)F)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24Cl2F3NO4/c1-2-19(22(33)24(27,28)29)30-21(13-6-8-16(25)9-7-13)18(14-4-3-5-17(26)10-14)11-15(23(30)34)12-20(31)32/h3-10,15,18-19,21-22,33H,2,11-12H2,1H3,(H,31,32)/t15-,18-,19+,21-,22?/m1/s1
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n/an/a 70n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215070
PNG
(US9296736, 21 | US9593129, Example 21)
Show SMILES CC[C@@H](CN1CCOCC1)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32Cl2N2O4/c1-2-23(17-30-10-12-35-13-11-30)31-26(18-6-8-21(28)9-7-18)24(19-4-3-5-22(29)14-19)15-20(27(31)34)16-25(32)33/h3-9,14,20,23-24,26H,2,10-13,15-17H2,1H3,(H,32,33)/t20-,23+,24-,26-/m1/s1
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n/an/a 70n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215071
PNG
(US9296736, 22)
Show SMILES CCNC[C@@H](CC)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H30Cl2N2O3/c1-3-21(15-28-4-2)29-24(16-8-10-19(26)11-9-16)22(17-6-5-7-20(27)12-17)13-18(25(29)32)14-23(30)31/h5-12,18,21-22,24,28H,3-4,13-15H2,1-2H3,(H,30,31)/t18-,21-,22-,24-/m1/s1
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n/an/a 490n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215072
PNG
(US9296736, 23 | US9593129, Example 23)
Show SMILES CC[C@@H](CNCC(F)(F)F)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27Cl2F3N2O3/c1-2-20(13-31-14-25(28,29)30)32-23(15-6-8-18(26)9-7-15)21(16-4-3-5-19(27)10-16)11-17(24(32)35)12-22(33)34/h3-10,17,20-21,23,31H,2,11-14H2,1H3,(H,33,34)/t17-,20+,21-,23-/m1/s1
PDB
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n/an/a 170n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (human)-Homo sapiens (Human))
BDBM215073
PNG
(US9296736, 24 | US9593129, Example 24)
Show SMILES CC[C@@H](CN1CCCC1)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32Cl2N2O3/c1-2-23(17-30-12-3-4-13-30)31-26(18-8-10-21(28)11-9-18)24(19-6-5-7-22(29)14-19)15-20(27(31)34)16-25(32)33/h5-11,14,20,23-24,26H,2-4,12-13,15-17H2,1H3,(H,32,33)/t20-,23+,24-,26-/m1/s1
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n/an/a 570n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
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