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USPatent US8993614

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152988
PNG
(US8993614, 53)
Show SMILES [H][C@@]1(O[C@H](O)[C@H](O)[C@H]1OC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1)[C@H](O)CO |r|
Show InChI InChI=1S/C40H43Cl2F2N3O12/c1-18(57-38(54)59-34-32(50)37(53)58-33(34)26(49)16-48)56-36(52)19-9-12-25(27(13-19)55-5)46-35(51)31-29(21-7-6-8-23(42)30(21)44)40(17-45,28(47-31)15-39(2,3)4)22-11-10-20(41)14-24(22)43/h6-14,18,26,28-29,31-34,37,47-50,53H,15-16H2,1-5H3,(H,46,51)/t18?,26-,28+,29+,31-,32-,33-,34-,37+,40+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152971
PNG
(BDBM152973 | US8993614, 36)
Show SMILES COCCOCCOC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:3,2,4::ht|
Show InChI InChI=1S/C38H41Cl2F2N3O9/c1-37(2,3)19-30-38(20-43,25-11-10-23(39)18-27(25)41)31(24-7-6-8-26(40)32(24)42)33(45-30)34(46)44-28-12-9-22(17-29(28)50-5)35(47)53-21-54-36(48)52-16-15-51-14-13-49-4/h6-12,17-18,30-31,33,45H,13-16,19,21H2,1-5H3,(H,44,46)/t30-,31-,33+,38-/m0/s1
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n/an/a 4.21n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152989
PNG
(US8993614, 54)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)OCCOCCOCCOCCOP(=O)(OCc1ccccc1)OCc1ccccc1 |r|
Show InChI InChI=1S/C56H62Cl2F2N3O14P/c1-37(77-54(66)72-29-27-70-25-23-69-24-26-71-28-30-73-78(67,74-34-38-13-8-6-9-14-38)75-35-39-15-10-7-11-16-39)76-53(65)40-19-22-46(47(31-40)68-5)62-52(64)51-49(42-17-12-18-44(58)50(42)60)56(36-61,48(63-51)33-55(2,3)4)43-21-20-41(57)32-45(43)59/h6-22,31-32,37,48-49,51,63H,23-30,33-35H2,1-5H3,(H,62,64)/t37?,48-,49-,51+,56-/m0/s1
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n/an/a 4.21n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152966
PNG
(US8993614, 30)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C52H50Cl2F2N4O10/c1-51(2,3)26-42-52(29-57,36-20-19-34(53)25-38(36)55)44(35-16-11-17-37(54)45(35)56)46(60-42)47(62)58-39-21-18-33(24-41(39)66-4)48(63)69-30-70-50(65)59-40(49(64)68-28-32-14-9-6-10-15-32)22-23-43(61)67-27-31-12-7-5-8-13-31/h5-21,24-25,40,42,44,46,60H,22-23,26-28,30H2,1-4H3,(H,58,62)(H,59,65)/t40-,42-,44-,46+,52-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152963
PNG
(US8993614, 24)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)NCC(O)=O |r|
Show InChI InChI=1S/C36H36Cl2F2N4O8/c1-18(52-34(49)42-16-28(45)46)51-33(48)19-9-12-25(26(13-19)50-5)43-32(47)31-29(21-7-6-8-23(38)30(21)40)36(17-41,27(44-31)15-35(2,3)4)22-11-10-20(37)14-24(22)39/h6-14,18,27,29,31,44H,15-16H2,1-5H3,(H,42,49)(H,43,47)(H,45,46)/t18?,27-,29-,31+,36-/m0/s1
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n/an/a 4.39n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152975
PNG
(US8993614, 40)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C51H67Cl2F2N3O15/c1-34(73-49(61)71-29-28-70-27-26-69-25-24-68-23-22-67-21-20-66-19-18-65-17-16-64-15-14-62-5)72-48(60)35-10-13-41(42(30-35)63-6)57-47(59)46-44(37-8-7-9-39(53)45(37)55)51(33-56,43(58-46)32-50(2,3)4)38-12-11-36(52)31-40(38)54/h7-13,30-31,34,43-44,46,58H,14-29,32H2,1-6H3,(H,57,59)/t34?,43-,44-,46+,51-/m0/s1
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n/an/a 4.44n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152980
PNG
(BDBM152981 | BDBM152982 | US8993614, 45)
Show SMILES COCCOCCNC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:4,3,2::ht|
Show InChI InChI=1S/C38H42Cl2F2N4O8/c1-37(2,3)19-30-38(20-43,25-11-10-23(39)18-27(25)41)31(24-7-6-8-26(40)32(24)42)33(46-30)34(47)45-28-12-9-22(17-29(28)51-5)35(48)53-21-54-36(49)44-13-14-52-16-15-50-4/h6-12,17-18,30-31,33,46H,13-16,19,21H2,1-5H3,(H,44,49)(H,45,47)/t30-,31-,33+,38-/m0/s1
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n/an/a 4.63n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152990
PNG
(US8993614, 55)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)OCCOCCOCCOCCOP(O)(O)=O |r|
Show InChI InChI=1S/C42H50Cl2F2N3O14P/c1-25(63-40(52)60-19-17-58-15-13-57-14-16-59-18-20-61-64(53,54)55)62-39(51)26-9-12-32(33(21-26)56-5)48-38(50)37-35(28-7-6-8-30(44)36(28)46)42(24-47,34(49-37)23-41(2,3)4)29-11-10-27(43)22-31(29)45/h6-12,21-22,25,34-35,37,49H,13-20,23H2,1-5H3,(H,48,50)(H2,53,54,55)/t25?,34-,35-,37+,42-/m0/s1
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n/an/a 4.75n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152979
PNG
(US8993614, 44)
Show SMILES COCCOCCNC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:4,3,2::ht|
Show InChI InChI=1S/C39H44Cl2F2N4O8/c1-22(55-37(50)45-14-15-53-17-16-51-5)54-36(49)23-10-13-29(30(18-23)52-6)46-35(48)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(47-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,47H,14-17,20H2,1-6H3,(H,45,50)(H,46,48)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 4.86n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152974
PNG
(US8993614, 39)
Show SMILES COCCOCCOCCOCCOCCOCCOC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C46H57Cl2F2N3O13/c1-45(2,3)27-38-46(28-51,33-11-10-31(47)26-35(33)49)39(32-7-6-8-34(48)40(32)50)41(53-38)42(54)52-36-12-9-30(25-37(36)58-5)43(55)65-29-66-44(56)64-24-23-63-22-21-62-20-19-61-18-17-60-16-15-59-14-13-57-4/h6-12,25-26,38-39,41,53H,13-24,27,29H2,1-5H3,(H,52,54)/t38-,39-,41+,46-/m0/s1
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n/an/a 5.06n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152977
PNG
(BDBM152978 | US8993614, 42)
Show SMILES COCCOCCNC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:3,2,4::ht|
Show InChI InChI=1S/C39H44Cl2F2N4O8/c1-22(55-37(50)45-14-15-53-17-16-51-5)54-36(49)23-10-13-29(30(18-23)52-6)46-35(48)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(47-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,47H,14-17,20H2,1-6H3,(H,45,50)(H,46,48)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 5.09n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152986
PNG
(US8993614, 51)
Show SMILES OC(=O)C(F)(F)F.COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOP(O)(O)=O |r|
Show InChI InChI=1S/C32H32Cl2F2N3O8P/c1-31(2,3)14-25-32(15-37,20-10-9-18(33)13-22(20)35)26(19-6-5-7-21(34)27(19)36)28(39-25)29(40)38-23-11-8-17(12-24(23)45-4)30(41)46-16-47-48(42,43)44/h5-13,25-26,28,39H,14,16H2,1-4H3,(H,38,40)(H2,42,43,44)/t25-,26-,28+,32-/m0/s1
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n/an/a 5.14n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152976
PNG
(US8993614, 41)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C49H63Cl2F2N3O14/c1-32(70-47(59)68-27-26-67-25-24-66-23-22-65-21-20-64-19-18-63-17-16-62-15-14-60-5)69-46(58)33-10-13-39(40(28-33)61-6)55-45(57)44-42(35-8-7-9-37(51)43(35)53)49(31-54,41(56-44)30-48(2,3)4)36-12-11-34(50)29-38(36)52/h7-13,28-29,32,41-42,44,56H,14-27,30H2,1-6H3,(H,55,57)/t32?,41-,42-,44+,49-/m0/s1
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n/an/a 5.18n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152970
PNG
(US8993614, 35)
Show SMILES COCCOCCOCCOCCOCCOC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C44H53Cl2F2N3O12/c1-43(2,3)25-36-44(26-49,31-11-10-29(45)24-33(31)47)37(30-7-6-8-32(46)38(30)48)39(51-36)40(52)50-34-12-9-28(23-35(34)56-5)41(53)62-27-63-42(54)61-22-21-60-20-19-59-18-17-58-16-15-57-14-13-55-4/h6-12,23-24,36-37,39,51H,13-22,25,27H2,1-5H3,(H,50,52)/t36-,37-,39+,44-/m0/s1
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US Patent
n/an/a 5.25n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152977
PNG
(BDBM152978 | US8993614, 42)
Show SMILES COCCOCCNC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:3,2,4::ht|
Show InChI InChI=1S/C39H44Cl2F2N4O8/c1-22(55-37(50)45-14-15-53-17-16-51-5)54-36(49)23-10-13-29(30(18-23)52-6)46-35(48)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(47-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,47H,14-17,20H2,1-6H3,(H,45,50)(H,46,48)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 5.69n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152964
PNG
(US8993614, 26)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)NCC(=O)OCc1ccccc1.COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r,$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C53H52Cl2F2N4O10/c1-31(71-51(66)60-41(50(65)69-29-33-15-10-7-11-16-33)23-24-44(62)68-28-32-13-8-6-9-14-32)70-49(64)34-19-22-40(42(25-34)67-5)59-48(63)47-45(36-17-12-18-38(55)46(36)57)53(30-58,43(61-47)27-52(2,3)4)37-21-20-35(54)26-39(37)56/h6-22,25-26,31,41,43,45,47,61H,23-24,27-29H2,1-5H3,(H,59,63)(H,60,66)/t31?,41-,43-,45-,47+,53-/m0/s1
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n/an/a 5.82n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152959
PNG
(US8993614, 20)
Show SMILES COCCOCCOCCOCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C45H55Cl2F2N3O12/c1-28(64-43(55)62-23-22-61-21-20-60-19-18-59-17-16-58-15-14-56-5)63-42(54)29-10-13-35(36(24-29)57-6)51-41(53)40-38(31-8-7-9-33(47)39(31)49)45(27-50,37(52-40)26-44(2,3)4)32-12-11-30(46)25-34(32)48/h7-13,24-25,28,37-38,40,52H,14-23,26H2,1-6H3,(H,51,53)/t28?,37-,38-,40+,45-/m0/s1
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n/an/a 5.84n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152983
PNG
(US8993614, 48)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1NC(CC(C)(C)C)[C@@](C#N)(C1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C36H36Cl2F2N4O8/c1-18(32(46)47)42-34(49)52-17-51-33(48)19-9-12-25(26(13-19)50-5)43-31(45)30-28(21-7-6-8-23(38)29(21)40)36(16-41,27(44-30)15-35(2,3)4)22-11-10-20(37)14-24(22)39/h6-14,18,27-28,30,44H,15,17H2,1-5H3,(H,42,49)(H,43,45)(H,46,47)/t18-,27?,28?,30+,36-/m0/s1
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n/an/a 6.96n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152961
PNG
(US8993614, 22)
Show SMILES COCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:4,3,2::ht|
Show InChI InChI=1S/C39H43Cl2F2N3O9/c1-22(55-37(49)53-17-16-52-15-14-50-5)54-36(48)23-10-13-29(30(18-23)51-6)45-35(47)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(46-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,46H,14-17,20H2,1-6H3,(H,45,47)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 7.13n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152972
PNG
(US8993614, 37)
Show SMILES COCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:3,2,4::ht|
Show InChI InChI=1S/C39H43Cl2F2N3O9/c1-22(55-37(49)53-17-16-52-15-14-50-5)54-36(48)23-10-13-29(30(18-23)51-6)45-35(47)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(46-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,46H,14-17,20H2,1-6H3,(H,45,47)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 7.14n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152965
PNG
(US8993614, 28)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)NCC(O)=O |r|
Show InChI InChI=1S/C35H34Cl2F2N4O8/c1-34(2,3)14-26-35(16-40,21-10-9-19(36)13-23(21)38)28(20-6-5-7-22(37)29(20)39)30(43-26)31(46)42-24-11-8-18(12-25(24)49-4)32(47)50-17-51-33(48)41-15-27(44)45/h5-13,26,28,30,43H,14-15,17H2,1-4H3,(H,41,48)(H,42,46)(H,44,45)/t26-,28-,30+,35-/m0/s1
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n/an/a 8.19n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152968
PNG
(US8993614, 33)
Show SMILES COCCOCCOCCOC(=O)OC(OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1)C(C)C |r|
Show InChI InChI=1S/C43H51Cl2F2N3O10/c1-25(2)40(60-41(53)58-20-19-57-18-17-56-16-15-54-6)59-39(52)26-11-14-32(33(21-26)55-7)49-38(51)37-35(28-9-8-10-30(45)36(28)47)43(24-48,34(50-37)23-42(3,4)5)29-13-12-27(44)22-31(29)46/h8-14,21-22,25,34-35,37,40,50H,15-20,23H2,1-7H3,(H,49,51)/t34-,35-,37+,40?,43-/m0/s1
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n/an/a 8.22n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152969
PNG
(US8993614, 34)
Show SMILES COCCOCCOCCOC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C40H45Cl2F2N3O10/c1-39(2,3)21-32-40(22-45,27-11-10-25(41)20-29(27)43)33(26-7-6-8-28(42)34(26)44)35(47-32)36(48)46-30-12-9-24(19-31(30)52-5)37(49)56-23-57-38(50)55-18-17-54-16-15-53-14-13-51-4/h6-12,19-20,32-33,35,47H,13-18,21,23H2,1-5H3,(H,46,48)/t32-,33-,35+,40-/m0/s1
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n/an/a 9.09n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152950
PNG
(US8993614, 11A)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)O[C@@H](C)OC(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C38H40Cl2F2N4O7/c1-21(53-36(49)46-13-15-51-16-14-46)52-35(48)22-9-12-28(29(17-22)50-5)44-34(47)33-31(24-7-6-8-26(40)32(24)42)38(20-43,30(45-33)19-37(2,3)4)25-11-10-23(39)18-27(25)41/h6-12,17-18,21,30-31,33,45H,13-16,19H2,1-5H3,(H,44,47)/t21-,30+,31+,33-,38+/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152944
PNG
(US8993614, 5)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(C)=O |r|
Show InChI InChI=1S/C35H35Cl2F2N3O6/c1-18(43)47-19(2)48-33(45)20-10-13-26(27(14-20)46-6)41-32(44)31-29(22-8-7-9-24(37)30(22)39)35(17-40,28(42-31)16-34(3,4)5)23-12-11-21(36)15-25(23)38/h7-15,19,28-29,31,42H,16H2,1-6H3,(H,41,44)/t19?,28-,29-,31+,35-/m0/s1
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n/an/a 10.4n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152941
PNG
(US8993614, 2)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C |r|
Show InChI InChI=1S/C40H48Cl2F2N3O8P/c1-37(2,3)20-31-40(21-45,26-16-15-24(41)19-28(26)43)32(25-12-11-13-27(42)33(25)44)34(47-31)35(48)46-29-17-14-23(18-30(29)51-10)36(49)52-22-53-56(50,54-38(4,5)6)55-39(7,8)9/h11-19,31-32,34,47H,20,22H2,1-10H3,(H,46,48)/t31-,32-,34+,40-/m0/s1
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n/an/a 10.8n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152962
PNG
(US8993614, 23)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)NCC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C43H42Cl2F2N4O8/c1-24(59-41(55)49-21-35(52)57-22-25-10-7-6-8-11-25)58-40(54)26-14-17-32(33(18-26)56-5)50-39(53)38-36(28-12-9-13-30(45)37(28)47)43(23-48,34(51-38)20-42(2,3)4)29-16-15-27(44)19-31(29)46/h6-19,24,34,36,38,51H,20-22H2,1-5H3,(H,49,55)(H,50,53)/t24?,34-,36-,38+,43-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152956
PNG
(US8993614, 17)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)NC1CCOCC1 |r|
Show InChI InChI=1S/C39H42Cl2F2N4O7/c1-21(54-37(50)45-24-13-15-52-16-14-24)53-36(49)22-9-12-29(30(17-22)51-5)46-35(48)34-32(25-7-6-8-27(41)33(25)43)39(20-44,31(47-34)19-38(2,3)4)26-11-10-23(40)18-28(26)42/h6-12,17-18,21,24,31-32,34,47H,13-16,19H2,1-5H3,(H,45,50)(H,46,48)/t21?,31-,32-,34+,39-/m0/s1
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n/an/a 11.7n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152953
PNG
(US8993614, 14)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C38H40Cl2F2N4O8S/c1-21(54-36(49)46-13-15-55(50,51)16-14-46)53-35(48)22-9-12-28(29(17-22)52-5)44-34(47)33-31(24-7-6-8-26(40)32(24)42)38(20-43,30(45-33)19-37(2,3)4)25-11-10-23(39)18-27(25)41/h6-12,17-18,21,30-31,33,45H,13-16,19H2,1-5H3,(H,44,47)/t21?,30-,31-,33+,38-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152954
PNG
(US8993614, 15)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)NCC1COC(C)(C)O1 |r|
Show InChI InChI=1S/C40H44Cl2F2N4O8/c1-21(55-37(51)46-18-24-19-53-39(5,6)56-24)54-36(50)22-11-14-29(30(15-22)52-7)47-35(49)34-32(25-9-8-10-27(42)33(25)44)40(20-45,31(48-34)17-38(2,3)4)26-13-12-23(41)16-28(26)43/h8-16,21,24,31-32,34,48H,17-19H2,1-7H3,(H,46,51)(H,47,49)/t21?,24?,31-,32-,34+,40-/m0/s1
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n/an/a 12.8n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152957
PNG
(US8993614, 18)
Show SMILES COCCOCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C41H47Cl2F2N3O10/c1-24(58-39(51)56-19-18-55-17-16-54-15-14-52-5)57-38(50)25-10-13-31(32(20-25)53-6)47-37(49)36-34(27-8-7-9-29(43)35(27)45)41(23-46,33(48-36)22-40(2,3)4)28-12-11-26(42)21-30(28)44/h7-13,20-21,24,33-34,36,48H,14-19,22H2,1-6H3,(H,47,49)/t24?,33-,34-,36+,41-/m0/s1
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n/an/a 13.1n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152955
PNG
(US8993614, 16)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)NCC(O)CO |r|
Show InChI InChI=1S/C37H40Cl2F2N4O8/c1-19(53-35(50)43-16-22(47)17-46)52-34(49)20-9-12-27(28(13-20)51-5)44-33(48)32-30(23-7-6-8-25(39)31(23)41)37(18-42,29(45-32)15-36(2,3)4)24-11-10-21(38)14-26(24)40/h6-14,19,22,29-30,32,45-47H,15-17H2,1-5H3,(H,43,50)(H,44,48)/t19?,22?,29-,30-,32+,37-/m0/s1
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n/an/a 13.4n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152952
PNG
(US8993614, 13)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C38H41Cl2F2N5O6/c1-21(53-36(50)47-15-13-44-14-16-47)52-35(49)22-9-12-28(29(17-22)51-5)45-34(48)33-31(24-7-6-8-26(40)32(24)42)38(20-43,30(46-33)19-37(2,3)4)25-11-10-23(39)18-27(25)41/h6-12,17-18,21,30-31,33,44,46H,13-16,19H2,1-5H3,(H,45,48)/t21?,30-,31-,33+,38-/m0/s1
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n/an/a 14.2n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152945
PNG
(US8993614, 6)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)C(C)C |r|
Show InChI InChI=1S/C37H39Cl2F2N3O6/c1-19(2)34(46)49-20(3)50-35(47)21-11-14-27(28(15-21)48-7)43-33(45)32-30(23-9-8-10-25(39)31(23)41)37(18-42,29(44-32)17-36(4,5)6)24-13-12-22(38)16-26(24)40/h8-16,19-20,29-30,32,44H,17H2,1-7H3,(H,43,45)/t20?,29-,30-,32+,37-/m0/s1
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n/an/a 14.5n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152942
PNG
(US8993614, 3)
Show SMILES COCCN(CCOC)C(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C40H46Cl2F2N4O8/c1-23(56-38(51)48(15-17-52-5)16-18-53-6)55-37(50)24-11-14-30(31(19-24)54-7)46-36(49)35-33(26-9-8-10-28(42)34(26)44)40(22-45,32(47-35)21-39(2,3)4)27-13-12-25(41)20-29(27)43/h8-14,19-20,23,32-33,35,47H,15-18,21H2,1-7H3,(H,46,49)/t23?,32-,33-,35+,40-/m0/s1
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n/an/a 16.3n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152943
PNG
(US8993614, 4)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C39H43Cl2F2N5O6/c1-22(54-37(51)48-16-14-47(5)15-17-48)53-36(50)23-10-13-29(30(18-23)52-6)45-35(49)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(46-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,46H,14-17,20H2,1-6H3,(H,45,49)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 18.7n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152991
PNG
(US8993614, 11B)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)O[C@H](C)OC(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C38H40Cl2F2N4O7/c1-21(53-36(49)46-13-15-51-16-14-46)52-35(48)22-9-12-28(29(17-22)50-5)44-34(47)33-31(24-7-6-8-26(40)32(24)42)38(20-43,30(45-33)19-37(2,3)4)25-11-10-23(39)18-27(25)41/h6-12,17-18,21,30-31,33,45H,13-16,19H2,1-5H3,(H,44,47)/t21-,30-,31-,33+,38-/m0/s1
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n/an/a 19.4n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152971
PNG
(BDBM152973 | US8993614, 36)
Show SMILES COCCOCCOC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:3,2,4::ht|
Show InChI InChI=1S/C38H41Cl2F2N3O9/c1-37(2,3)19-30-38(20-43,25-11-10-23(39)18-27(25)41)31(24-7-6-8-26(40)32(24)42)33(45-30)34(46)44-28-12-9-22(17-29(28)50-5)35(47)53-21-54-36(48)52-16-15-51-14-13-49-4/h6-12,17-18,30-31,33,45H,13-16,19,21H2,1-5H3,(H,44,46)/t30-,31-,33+,38-/m0/s1
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n/an/a 20.2n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152951
PNG
(US8993614, 12)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)N1CCN(CC1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C43H49Cl2F2N5O8/c1-24(59-39(55)51-16-18-52(19-17-51)40(56)60-42(5,6)7)58-38(54)25-12-15-31(32(20-25)57-8)49-37(53)36-34(27-10-9-11-29(45)35(27)47)43(23-48,33(50-36)22-41(2,3)4)28-14-13-26(44)21-30(28)46/h9-15,20-21,24,33-34,36,50H,16-19,22H2,1-8H3,(H,49,53)/t24?,33-,34-,36+,43-/m0/s1
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n/an/a 23.8n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152985
PNG
(US8993614, 50)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)OCCOCCOCCOCCOP(O)(O)=O |r|
Show InChI InChI=1S/C41H48Cl2F2N3O14P/c1-40(2,3)22-33-41(23-46,28-10-9-26(42)21-30(28)44)34(27-6-5-7-29(43)35(27)45)36(48-33)37(49)47-31-11-8-25(20-32(31)55-4)38(50)60-24-61-39(51)59-18-16-57-14-12-56-13-15-58-17-19-62-63(52,53)54/h5-11,20-21,33-34,36,48H,12-19,22,24H2,1-4H3,(H,47,49)(H2,52,53,54)/t33-,34-,36+,41-/m0/s1
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n/an/a 26.5n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152987
PNG
(US8993614, 52)
Show SMILES [H][C@@]1(COC(C)(C)O1)[C@@]1([H])C[C@]2([H])OC(C)(C)O[C@]2([H])[C@H]1OC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C47H53Cl2F2N3O11/c1-23(61-43(57)62-39-27(34-21-59-45(5,6)64-34)19-33-40(39)65-46(7,8)63-33)60-42(56)24-13-16-31(32(17-24)58-9)53-41(55)38-36(26-11-10-12-29(49)37(26)51)47(22-52,35(54-38)20-44(2,3)4)28-15-14-25(48)18-30(28)50/h10-18,23,27,33-36,38-40,54H,19-21H2,1-9H3,(H,53,55)/t23?,27-,33+,34-,35+,36+,38-,39+,40+,47+/m1/s1
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n/an/a 26.7n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152940
PNG
(US8993614, 1)
Show SMILES CCN(C(C)C)C(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C39H44Cl2F2N4O6/c1-9-47(21(2)3)37(50)53-22(4)52-36(49)23-13-16-29(30(17-23)51-8)45-35(48)34-32(25-11-10-12-27(41)33(25)43)39(20-44,31(46-34)19-38(5,6)7)26-15-14-24(40)18-28(26)42/h10-18,21-22,31-32,34,46H,9,19H2,1-8H3,(H,45,48)/t22?,31-,32-,34+,39-/m0/s1
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n/an/a 29.6n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152980
PNG
(BDBM152981 | BDBM152982 | US8993614, 45)
Show SMILES COCCOCCNC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:4,3,2::ht|
Show InChI InChI=1S/C38H42Cl2F2N4O8/c1-37(2,3)19-30-38(20-43,25-11-10-23(39)18-27(25)41)31(24-7-6-8-26(40)32(24)42)33(46-30)34(47)45-28-12-9-22(17-29(28)51-5)35(48)53-21-54-36(49)44-13-14-52-16-15-50-4/h6-12,17-18,30-31,33,46H,13-16,19,21H2,1-5H3,(H,44,49)(H,45,47)/t30-,31-,33+,38-/m0/s1
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n/an/a 30.3n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152980
PNG
(BDBM152981 | BDBM152982 | US8993614, 45)
Show SMILES COCCOCCNC(=O)OCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:4,3,2::ht|
Show InChI InChI=1S/C38H42Cl2F2N4O8/c1-37(2,3)19-30-38(20-43,25-11-10-23(39)18-27(25)41)31(24-7-6-8-26(40)32(24)42)33(46-30)34(47)45-28-12-9-22(17-29(28)51-5)35(48)53-21-54-36(49)44-13-14-52-16-15-50-4/h6-12,17-18,30-31,33,46H,13-16,19,21H2,1-5H3,(H,44,49)(H,45,47)/t30-,31-,33+,38-/m0/s1
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n/an/a 40.8n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152960
PNG
(US8993614, 21)
Show SMILES COCCOCCOCCOCCOCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C47H59Cl2F2N3O13/c1-30(67-45(57)65-25-24-64-23-22-63-21-20-62-19-18-61-17-16-60-15-14-58-5)66-44(56)31-10-13-37(38(26-31)59-6)53-43(55)42-40(33-8-7-9-35(49)41(33)51)47(29-52,39(54-42)28-46(2,3)4)34-12-11-32(48)27-36(34)50/h7-13,26-27,30,39-40,42,54H,14-25,28H2,1-6H3,(H,53,55)/t30?,39-,40-,42+,47-/m0/s1
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n/an/a 43.5n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152946
PNG
(US8993614, 7)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(C)=O |r|
Show InChI InChI=1S/C34H33Cl2F2N3O6/c1-18(42)46-17-47-32(44)19-9-12-25(26(13-19)45-5)40-31(43)30-28(21-7-6-8-23(36)29(21)38)34(16-39,27(41-30)15-33(2,3)4)22-11-10-20(35)14-24(22)37/h6-14,27-28,30,41H,15,17H2,1-5H3,(H,40,43)/t27-,28-,30+,34-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152958
PNG
(US8993614, 19)
Show SMILES COCCOCCOCCOCCOC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r|
Show InChI InChI=1S/C43H51Cl2F2N3O11/c1-26(61-41(53)59-21-20-58-19-18-57-17-16-56-15-14-54-5)60-40(52)27-10-13-33(34(22-27)55-6)49-39(51)38-36(29-8-7-9-31(45)37(29)47)43(25-48,35(50-38)24-42(2,3)4)30-12-11-28(44)23-32(30)46/h7-13,22-23,26,35-36,38,50H,14-21,24H2,1-6H3,(H,49,51)/t26?,35-,36-,38+,43-/m0/s1
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n/an/a 51.4n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152947
PNG
(US8993614, 8)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)OC1CCCCC1 |r|
Show InChI InChI=1S/C40H43Cl2F2N3O7/c1-22(53-38(50)54-25-10-7-6-8-11-25)52-37(49)23-14-17-30(31(18-23)51-5)46-36(48)35-33(26-12-9-13-28(42)34(26)44)40(21-45,32(47-35)20-39(2,3)4)27-16-15-24(41)19-29(27)43/h9,12-19,22,25,32-33,35,47H,6-8,10-11,20H2,1-5H3,(H,46,48)/t22?,32-,33-,35+,40-/m0/s1
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n/an/a 53.6n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152949
PNG
(US8993614, 10)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C38H40Cl2F2N4O7/c1-21(53-36(49)46-13-15-51-16-14-46)52-35(48)22-9-12-28(29(17-22)50-5)44-34(47)33-31(24-7-6-8-26(40)32(24)42)38(20-43,30(45-33)19-37(2,3)4)25-11-10-23(39)18-27(25)41/h6-12,17-18,21,30-31,33,45H,13-16,19H2,1-5H3,(H,44,47)/t21?,30-,31-,33+,38-/m0/s1
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n/an/a 53.6n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152984
PNG
(US8993614, 49)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)OCCOCCOCCOCCOP(=O)(OCc1ccccc1)OCc1ccccc1 |r|
Show InChI InChI=1S/C55H60Cl2F2N3O14P/c1-54(2,3)32-47-55(35-60,42-20-19-40(56)31-44(42)58)48(41-16-11-17-43(57)49(41)59)50(62-47)51(63)61-45-21-18-39(30-46(45)67-4)52(64)72-36-73-53(65)71-28-26-69-24-22-68-23-25-70-27-29-74-77(66,75-33-37-12-7-5-8-13-37)76-34-38-14-9-6-10-15-38/h5-21,30-31,47-48,50,62H,22-29,32-34,36H2,1-4H3,(H,61,63)/t47-,48-,50+,55-/m0/s1
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n/an/a 80.1n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152948
PNG
(US8993614, 9)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OC(C)OC(=O)OC(C)C |r|
Show InChI InChI=1S/C37H39Cl2F2N3O7/c1-19(2)49-35(47)51-20(3)50-34(46)21-11-14-27(28(15-21)48-7)43-33(45)32-30(23-9-8-10-25(39)31(23)41)37(18-42,29(44-32)17-36(4,5)6)24-13-12-22(38)16-26(24)40/h8-16,19-20,29-30,32,44H,17H2,1-7H3,(H,43,45)/t20?,29-,30-,32+,37-/m0/s1
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n/an/a 116n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM152967
PNG
(US8993614, 31)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C38H38Cl2F2N4O10/c1-37(2,3)16-28-38(17-43,22-10-9-20(39)15-24(22)41)30(21-6-5-7-23(40)31(21)42)32(46-28)33(49)44-25-11-8-19(14-27(25)54-4)35(52)55-18-56-36(53)45-26(34(50)51)12-13-29(47)48/h5-11,14-15,26,28,30,32,46H,12-13,16,18H2,1-4H3,(H,44,49)(H,45,53)(H,47,48)(H,50,51)/t26-,28-,30-,32+,38-/m0/s1
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n/an/a 162n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%