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Compile Data Set for Download or QSAR

Found 683 hits with Last Name = 'tamanini' and Initial = 'e'   
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 XIAP


(Homo sapiens (Human))
BDBM50239422
PNG
(CHEMBL234346)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a 0.0170n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay


J Med Chem 60: 4611-4625 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50239422
PNG
(CHEMBL234346)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay


J Med Chem 60: 4611-4625 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427143
PNG
(1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...)
Show SMILES C[C@@](O)(C1CCOCC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H35Cl2FN2O7S/c1-32(42,21-9-13-45-14-10-21)23-15-26-29(27(37)16-23)34(22-4-7-24(35)8-5-22,46-19-33(11-12-33)31(38)41)39(30(26)40)18-20-3-6-25(36)17-28(20)47(2,43)44/h3-8,15-17,21,42H,9-14,18-19H2,1-2H3,(H2,38,41)/t32-,34-/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427143
PNG
(1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...)
Show SMILES C[C@@](O)(C1CCOCC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H35Cl2FN2O7S/c1-32(42,21-9-13-45-14-10-21)23-15-26-29(27(37)16-23)34(22-4-7-24(35)8-5-22,46-19-33(11-12-33)31(38)41)39(30(26)40)18-20-3-6-25(36)17-28(20)47(2,43)44/h3-8,15-17,21,42H,9-14,18-19H2,1-2H3,(H2,38,41)/t32-,34-/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427127
PNG
(1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...)
Show SMILES Cn1cc(cn1)[C@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H31Cl2FN4O6S/c1-31(43,22-15-38-39(2)17-22)21-12-25-28(26(36)13-21)33(20-5-8-23(34)9-6-20,46-18-32(10-11-32)30(37)42)40(29(25)41)16-19-4-7-24(35)14-27(19)47(3,44)45/h4-9,12-15,17,43H,10-11,16,18H2,1-3H3,(H2,37,42)/t31-,33-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427127
PNG
(1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...)
Show SMILES Cn1cc(cn1)[C@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H31Cl2FN4O6S/c1-31(43,22-15-38-39(2)17-22)21-12-25-28(26(36)13-21)33(20-5-8-23(34)9-6-20,46-18-32(10-11-32)30(37)42)40(29(25)41)16-19-4-7-24(35)14-27(19)47(3,44)45/h4-9,12-15,17,43H,10-11,16,18H2,1-3H3,(H2,37,42)/t31-,33-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427196
PNG
(US10544132, Example 137)
Show SMILES CC[C@](O)(C1CCN(CCC(O)=O)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)C(OC)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H35Cl2FN2O5/c1-3-32(42,22-12-15-37(16-13-22)17-14-29(39)40)24-18-27-30(28(36)19-24)33(43-2,23-6-10-26(35)11-7-23)38(31(27)41)20-21-4-8-25(34)9-5-21/h4-11,18-19,22,42H,3,12-17,20H2,1-2H3,(H,39,40)/t32-,33?/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427195
PNG
(US10544132, Example 136 | US10981898, Example 137 ...)
Show SMILES CC[C@](O)(C1CCN(CCC(=O)OC)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H37Cl2FN2O5/c1-4-33(42,23-13-16-38(17-14-23)18-15-30(40)43-2)25-19-28-31(29(37)20-25)34(44-3,24-7-11-27(36)12-8-24)39(32(28)41)21-22-5-9-26(35)10-6-22/h5-12,19-20,23,42H,4,13-18,21H2,1-3H3/t33-,34+/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427156
PNG
(4-{[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[I-hydroxy-...)
Show SMILES CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H30ClFN4O4/c1-3-32(41,29-18-38(2)20-37-29)24-14-27-30(28(35)15-24)33(43-26-12-13-42-19-26,23-8-10-25(34)11-9-23)39(31(27)40)17-22-6-4-21(16-36)5-7-22/h4-11,14-15,18,20,26,41H,3,12-13,17,19H2,1-2H3/t26-,32-,33+/m0/s1
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n/an/a 0.640n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427156
PNG
(4-{[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[I-hydroxy-...)
Show SMILES CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H30ClFN4O4/c1-3-32(41,29-18-38(2)20-37-29)24-14-27-30(28(35)15-24)33(43-26-12-13-42-19-26,23-8-10-25(34)11-9-23)39(31(27)40)17-22-6-4-21(16-36)5-7-22/h4-11,14-15,18,20,26,41H,3,12-13,17,19H2,1-2H3/t26-,32-,33+/m0/s1
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n/an/a 0.640n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427123
PNG
(US10544132, Example 70 | US10981898, Example 69)
Show SMILES CN1CCN(C[C@@](C)(O)c2cc3C(=O)N(Cc4ccc(Cl)cc4S(C)(=O)=O)[C@](O[C@H]4CCOC4)(c3c(F)c2)c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C34H38Cl2FN3O6S/c1-33(42,21-39-13-11-38(2)12-14-39)24-16-28-31(29(37)17-24)34(46-27-10-15-45-20-27,23-5-8-25(35)9-6-23)40(32(28)41)19-22-4-7-26(36)18-30(22)47(3,43)44/h4-9,16-18,27,42H,10-15,19-21H2,1-3H3/t27-,33+,34+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427122
PNG
(US10544132, Example 69 | US10981898, Example 70)
Show SMILES CN1CCN(C[C@](C)(O)c2cc3C(=O)N(Cc4ccc(Cl)cc4S(C)(=O)=O)[C@](O[C@H]4CCOC4)(c3c(F)c2)c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C34H38Cl2FN3O6S/c1-33(42,21-39-13-11-38(2)12-14-39)24-16-28-31(29(37)17-24)34(46-27-10-15-45-20-27,23-5-8-25(35)9-6-23)40(32(28)41)19-22-4-7-26(36)18-30(22)47(3,43)44/h4-9,16-18,27,42H,10-15,19-21H2,1-3H3/t27-,33-,34+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427147
PNG
((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...)
Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H30Cl2FNO6/c1-30(39,19-11-13-41-14-12-19)21-15-24-28(25(34)16-21)31(40-2,20-5-9-23(33)10-6-20)35(29(24)38)26(17-27(36)37)18-3-7-22(32)8-4-18/h3-10,15-16,19,26,39H,11-14,17H2,1-2H3,(H,36,37)/t26-,30-,31+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427147
PNG
((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...)
Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H30Cl2FNO6/c1-30(39,19-11-13-41-14-12-19)21-15-24-28(25(34)16-21)31(40-2,20-5-9-23(33)10-6-20)35(29(24)38)26(17-27(36)37)18-3-7-22(32)8-4-18/h3-10,15-16,19,26,39H,11-14,17H2,1-2H3,(H,36,37)/t26-,30-,31+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427098
PNG
(US10544132, Example 50 | US10981898, Example 62 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H30Cl2FNO6S/c1-28(2,37)20-12-23-26(24(33)13-20)30(19-5-8-21(31)9-6-19,40-17-29(16-35)10-11-29)34(27(23)36)15-18-4-7-22(32)14-25(18)41(3,38)39/h4-9,12-14,35,37H,10-11,15-17H2,1-3H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427158
PNG
((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...)
Show SMILES CO[C@]1(N([C@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@](C)(O)C1(F)CCOCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H29Cl2F2NO6/c1-29(40,30(35)11-13-42-14-12-30)20-15-23-27(24(34)16-20)31(41-2,19-5-9-22(33)10-6-19)36(28(23)39)25(17-26(37)38)18-3-7-21(32)8-4-18/h3-10,15-16,25,40H,11-14,17H2,1-2H3,(H,37,38)/t25-,29+,31-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427098
PNG
(US10544132, Example 50 | US10981898, Example 62 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H30Cl2FNO6S/c1-28(2,37)20-12-23-26(24(33)13-20)30(19-5-8-21(31)9-6-19,40-17-29(16-35)10-11-29)34(27(23)36)15-18-4-7-22(32)14-25(18)41(3,38)39/h4-9,12-14,35,37H,10-11,15-17H2,1-3H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM492987
PNG
(US10981898, Example 98)
Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@](C)(O)C1(F)CCOCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H29Cl2F2NO6/c1-29(40,30(35)11-13-42-14-12-30)20-15-23-27(24(34)16-20)31(41-2,19-5-9-22(33)10-6-19)36(28(23)39)25(17-26(37)38)18-3-7-21(32)8-4-18/h3-10,15-16,25,40H,11-14,17H2,1-2H3,(H,37,38)/t25-,29-,31+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427136
PNG
((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES CS(=O)(=O)c1cc(Cl)ccc1CN1C(=O)c2cc(cc(F)c2[C@]1(OCC1(CO)CC1)c1ccc(Cl)cc1)[C@@H](O)C1CCOCC1 |r|
Show InChI InChI=1S/C33H34Cl2FNO7S/c1-45(41,42)28-16-25(35)5-2-21(28)17-37-31(40)26-14-22(30(39)20-8-12-43-13-9-20)15-27(36)29(26)33(37,23-3-6-24(34)7-4-23)44-19-32(18-38)10-11-32/h2-7,14-16,20,30,38-39H,8-13,17-19H2,1H3/t30-,33+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427139
PNG
((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES CS(=O)(=O)c1cc(Cl)ccc1CN1C(=O)c2cc(cc(F)c2[C@]1(OCC1(CO)CC1)c1ccc(Cl)cc1)[C@H](O)C1CCOCC1 |r|
Show InChI InChI=1S/C33H34Cl2FNO7S/c1-45(41,42)28-16-25(35)5-2-21(28)17-37-31(40)26-14-22(30(39)20-8-12-43-13-9-20)15-27(36)29(26)33(37,23-3-6-24(34)7-4-23)44-19-32(18-38)10-11-32/h2-7,14-16,20,30,38-39H,8-13,17-19H2,1H3/t30-,33-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427194
PNG
(US10544132, Example 135 | US10981898, Example 134 ...)
Show SMILES CC[C@](O)(C1CCN(CC(O)=O)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C32H33Cl2FN2O5/c1-3-31(41,21-12-14-36(15-13-21)19-28(38)39)23-16-26-29(27(35)17-23)32(42-2,22-6-10-25(34)11-7-22)37(30(26)40)18-20-4-8-24(33)9-5-20/h4-11,16-17,21,41H,3,12-15,18-19H2,1-2H3,(H,38,39)/t31-,32+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427193
PNG
(US10544132, Example 134 | US11236047, Example 135)
Show SMILES CC[C@@](O)(C1CCN(CC(O)=O)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C32H33Cl2FN2O5/c1-3-31(41,21-12-14-36(15-13-21)19-28(38)39)23-16-26-29(27(35)17-23)32(42-2,22-6-10-25(34)11-7-22)37(30(26)40)18-20-4-8-24(33)9-5-20/h4-11,16-17,21,41H,3,12-15,18-19H2,1-2H3,(H,38,39)/t31-,32-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427195
PNG
(US10544132, Example 136 | US10981898, Example 137 ...)
Show SMILES CC[C@](O)(C1CCN(CCC(=O)OC)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H37Cl2FN2O5/c1-4-33(42,23-13-16-38(17-14-23)18-15-30(40)43-2)25-19-28-31(29(37)20-25)34(44-3,24-7-11-27(36)12-8-24)39(32(28)41)21-22-5-9-26(35)10-6-22/h5-12,19-20,23,42H,4,13-18,21H2,1-3H3/t33-,34+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427195
PNG
(US10544132, Example 136 | US10981898, Example 137 ...)
Show SMILES CC[C@](O)(C1CCN(CCC(=O)OC)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H37Cl2FN2O5/c1-4-33(42,23-13-16-38(17-14-23)18-15-30(40)43-2)25-19-28-31(29(37)20-25)34(44-3,24-7-11-27(36)12-8-24)39(32(28)41)21-22-5-9-26(35)10-6-22/h5-12,19-20,23,42H,4,13-18,21H2,1-3H3/t33-,34+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427125
PNG
(US10544132, Example 72 | US10981898, Example 72 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3CO)[C@](OCC3(CC3)C#N)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H27Cl2FN2O4/c1-28(2,38)21-12-24-26(25(33)13-21)30(20-4-7-22(31)8-5-20,39-17-29(16-34)9-10-29)35(27(24)37)14-18-3-6-23(32)11-19(18)15-36/h3-8,11-13,36,38H,9-10,14-15,17H2,1-2H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427125
PNG
(US10544132, Example 72 | US10981898, Example 72 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3CO)[C@](OCC3(CC3)C#N)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H27Cl2FN2O4/c1-28(2,38)21-12-24-26(25(33)13-21)30(20-4-7-22(31)8-5-20,39-17-29(16-34)9-10-29)35(27(24)37)14-18-3-6-23(32)11-19(18)15-36/h3-8,11-13,36,38H,9-10,14-15,17H2,1-2H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427086
PNG
((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES C[C@@](O)(C1CCOCC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H36Cl2FNO7S/c1-32(41,22-9-13-44-14-10-22)24-15-27-30(28(37)16-24)34(23-4-7-25(35)8-5-23,45-20-33(19-39)11-12-33)38(31(27)40)18-21-3-6-26(36)17-29(21)46(2,42)43/h3-8,15-17,22,39,41H,9-14,18-20H2,1-2H3/t32-,34-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427086
PNG
((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES C[C@@](O)(C1CCOCC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H36Cl2FNO7S/c1-32(41,22-9-13-44-14-10-22)24-15-27-30(28(37)16-24)34(23-4-7-25(35)8-5-23,45-20-33(19-39)11-12-33)38(31(27)40)18-21-3-6-26(36)17-29(21)46(2,42)43/h3-8,15-17,22,39,41H,9-14,18-20H2,1-2H3/t32-,34-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM492940
PNG
(US10981898, Example 35 | US11236047, Example 35 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29Cl2FN2O6S/c1-28(2,38)19-12-22-25(23(33)13-19)30(18-5-8-20(31)9-6-18,41-16-29(10-11-29)27(34)37)35(26(22)36)15-17-4-7-21(32)14-24(17)42(3,39)40/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H2,34,37)/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427118
PNG
((3R)-2-[(4-Chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES C[C@@](O)(CO)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H30Cl2FNO7S/c1-28(38,15-35)20-11-23-26(24(33)12-20)30(19-4-7-21(31)8-5-19,41-17-29(16-36)9-10-29)34(27(23)37)14-18-3-6-22(32)13-25(18)42(2,39)40/h3-8,11-13,35-36,38H,9-10,14-17H2,1-2H3/t28-,30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427118
PNG
((3R)-2-[(4-Chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES C[C@@](O)(CO)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H30Cl2FNO7S/c1-28(38,15-35)20-11-23-26(24(33)12-20)30(19-4-7-21(31)8-5-19,41-17-29(16-36)9-10-29)34(27(23)37)14-18-3-6-22(32)13-25(18)42(2,39)40/h3-8,11-13,35-36,38H,9-10,14-17H2,1-2H3/t28-,30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427080
PNG
(US10544132, Example 35)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)C(OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H29Cl2FN2O6S/c1-28(2,38)19-12-22-25(23(33)13-19)30(18-5-8-20(31)9-6-18,41-16-29(10-11-29)27(34)37)35(26(22)36)15-17-4-7-21(32)14-24(17)42(3,39)40/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H2,34,37)
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427081
PNG
( (3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]...)
Show SMILES CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1S(C)(=O)=O)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31Cl2NO6S/c1-28(2,36)21-7-11-25-24(14-21)27(35)33(16-19-4-8-23(32)15-26(19)40(3,37)38)30(25,20-5-9-22(31)10-6-20)39-18-29(17-34)12-13-29/h4-11,14-15,34,36H,12-13,16-18H2,1-3H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427081
PNG
( (3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]...)
Show SMILES CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1S(C)(=O)=O)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31Cl2NO6S/c1-28(2,36)21-7-11-25-24(14-21)27(35)33(16-19-4-8-23(32)15-26(19)40(3,37)38)30(25,20-5-9-22(31)10-6-20)39-18-29(17-34)12-13-29/h4-11,14-15,34,36H,12-13,16-18H2,1-3H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427185
PNG
(US10544132, Example 126)
Show SMILES CC[C@@](C)(O)c1cc2C(=O)N([C@@H](CC(O)=O)c3ccc(Cl)cc3)[C@](OCC3(F)COC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H29Cl2F2NO6/c1-3-29(2,40)20-12-23-27(24(34)13-20)31(19-6-10-22(33)11-7-19,42-17-30(35)15-41-16-30)36(28(23)39)25(14-26(37)38)18-4-8-21(32)9-5-18/h4-13,25,40H,3,14-17H2,1-2H3,(H,37,38)/t25-,29+,31+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427184
PNG
(US10544132, Example 125 | US10981898, Example 126)
Show SMILES CC[C@](C)(O)c1cc2C(=O)N([C@@H](CC(O)=O)c3ccc(Cl)cc3)[C@](OCC3(F)COC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H29Cl2F2NO6/c1-3-29(2,40)20-12-23-27(24(34)13-20)31(19-6-10-22(33)11-7-19,42-17-30(35)15-41-16-30)36(28(23)39)25(14-26(37)38)18-4-8-21(32)9-5-18/h4-13,25,40H,3,14-17H2,1-2H3,(H,37,38)/t25-,29-,31+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM492938
PNG
(US10981898, Example 33)
Show SMILES CC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1Br)C2(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16BrCl2NO3/c1-13(28)14-3-9-20-19(10-14)22(29)27(12-15-2-6-18(26)11-21(15)24)23(20,30)16-4-7-17(25)8-5-16/h2-11,30H,12H2,1H3
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427078
PNG
(US10544132, Example 33 | US11236047, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1C(O)=O)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29Cl2NO6/c1-28(2,38)20-6-10-25-24(13-20)26(35)33(15-18-3-7-22(32)14-23(18)27(36)37)30(25,19-4-8-21(31)9-5-19)39-17-29(16-34)11-12-29/h3-10,13-14,34,38H,11-12,15-17H2,1-2H3,(H,36,37)/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427124
PNG
(US10544132, Example 71 | US10981898, Example 71 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N([C@@H](CC(O)=O)c3ccc(Cl)cc3)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H28Cl2FNO6/c1-29(2,38)19-13-23-27(24(33)14-19)30(40-22-11-12-39-16-22,18-5-9-21(32)10-6-18)34(28(23)37)25(15-26(35)36)17-3-7-20(31)8-4-17/h3-10,13-14,22,25,38H,11-12,15-16H2,1-2H3,(H,35,36)/t22-,25-,30+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427124
PNG
(US10544132, Example 71 | US10981898, Example 71 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N([C@@H](CC(O)=O)c3ccc(Cl)cc3)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H28Cl2FNO6/c1-29(2,38)19-13-23-27(24(33)14-19)30(40-22-11-12-39-16-22,18-5-9-21(32)10-6-18)34(28(23)37)25(15-26(35)36)17-3-7-20(31)8-4-17/h3-10,13-14,22,25,38H,11-12,15-16H2,1-2H3,(H,35,36)/t22-,25-,30+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method


ACS Med Chem Lett 6: 798-803 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427116
PNG
((3R)-2-[(4-Chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES COC[C@@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H32Cl2FNO7S/c1-29(38,17-41-2)21-12-24-27(25(34)13-21)31(20-5-8-22(32)9-6-20,42-18-30(16-36)10-11-30)35(28(24)37)15-19-4-7-23(33)14-26(19)43(3,39)40/h4-9,12-14,36,38H,10-11,15-18H2,1-3H3/t29-,31-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427117
PNG
((3R)-2-[(4-Chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES COC[C@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H32Cl2FNO7S/c1-29(38,17-41-2)21-12-24-27(25(34)13-21)31(20-5-8-22(32)9-6-20,42-18-30(16-36)10-11-30)35(28(24)37)15-19-4-7-23(33)14-26(19)43(3,39)40/h4-9,12-14,36,38H,10-11,15-18H2,1-3H3/t29-,31+/m0/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427132
PNG
(US10544132, Example 79 | US11236047, Example 79 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3C(O)=O)[C@](OCC3(CC3)C#N)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H25Cl2FN2O5/c1-28(2,39)19-11-23-25(24(33)12-19)30(18-4-7-20(31)8-5-18,40-16-29(15-34)9-10-29)35(26(23)36)14-17-3-6-21(32)13-22(17)27(37)38/h3-8,11-13,39H,9-10,14,16H2,1-2H3,(H,37,38)/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM492977
PNG
(US10981898, Example 79)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3Br)[C@](OCC3(CC3)C#N)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H24BrCl2FN2O3/c1-27(2,37)19-11-22-25(24(33)12-19)29(18-4-7-20(31)8-5-18,38-16-28(15-34)9-10-28)35(26(22)36)14-17-3-6-21(32)13-23(17)30/h3-8,11-13,37H,9-10,14,16H2,1-2H3/t29-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427115
PNG
((3R)-2-[(4-Chloro-2-methanesulfinylphenyl)methyl]-...)
Show SMILES C[S@@](=O)c1cc(Cl)ccc1CN1C(=O)c2cc(cc(F)c2[C@]1(OCC1(CO)CC1)c1ccc(Cl)cc1)C(C)(C)O |r|
Show InChI InChI=1S/C30H30Cl2FNO5S/c1-28(2,37)20-12-23-26(24(33)13-20)30(19-5-8-21(31)9-6-19,39-17-29(16-35)10-11-29)34(27(23)36)15-18-4-7-22(32)14-25(18)40(3)38/h4-9,12-14,35,37H,10-11,15-17H2,1-3H3/t30-,40-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427098
PNG
(US10544132, Example 50 | US10981898, Example 62 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H30Cl2FNO6S/c1-28(2,37)20-12-23-26(24(33)13-20)30(19-5-8-21(31)9-6-19,40-17-29(16-35)10-11-29)34(27(23)36)15-18-4-7-22(32)14-25(18)41(3,38)39/h4-9,12-14,35,37H,10-11,15-17H2,1-3H3/t30-/m1/s1
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ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427135
PNG
(US10544132, Example 82 | US10981898, Example 82 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3P(C)(C)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H33Cl2FNO5P/c1-29(2,38)21-13-24-27(25(34)14-21)31(20-6-9-22(32)10-7-20,40-18-30(17-36)11-12-30)35(28(24)37)16-19-5-8-23(33)15-26(19)41(3,4)39/h5-10,13-15,36,38H,11-12,16-18H2,1-4H3/t31-/m1/s1
PDB
MMDB

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n/an/a 2.5n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427135
PNG
(US10544132, Example 82 | US10981898, Example 82 | ...)
Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3P(C)(C)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H33Cl2FNO5P/c1-29(2,38)21-13-24-27(25(34)14-21)31(20-6-9-22(32)10-7-20,40-18-30(17-36)11-12-30)35(28(24)37)16-19-5-8-23(33)15-26(19)41(3,4)39/h5-10,13-15,36,38H,11-12,16-18H2,1-4H3/t31-/m1/s1
PDB
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n/an/a 2.5n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)


BindingDB Entry DOI: 10.7270/Q2154M5V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427134
PNG
((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H39Cl2FN2O6S/c1-33(43,23-10-14-39(2)15-11-23)25-16-28-31(29(38)17-25)35(24-5-8-26(36)9-6-24,46-21-34(20-41)12-13-34)40(32(28)42)19-22-4-7-27(37)18-30(22)47(3,44)45/h4-9,16-18,23,41,43H,10-15,19-21H2,1-3H3/t33-,35-/m1/s1
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair
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