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Compile Data Set for Download or QSAR

Found 1689 hits with Last Name = 'stutz' and Initial = 's'   
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))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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1.30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Canis lupus familiaris)
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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11n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dog MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Mus musculus)
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Canis lupus familiaris)
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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21n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dog MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Mus musculus)
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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66n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129810
PNG
(US8815926, 89)
Show SMILES COc1ccc(CO)cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
Show InChI InChI=1S/C30H29Cl2N3O3/c1-16(2)34-28-26(33-29(34)23-13-19(15-36)7-11-25(23)38-5)30(37)35(24-14-21(32)8-6-17(24)3)27(28)22-10-9-20(31)12-18(22)4/h6-14,16,27,36H,15H2,1-5H3/t27-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129937
PNG
(US8815926, 218)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCO |r|
Show InChI InChI=1S/C32H32Cl2N4O4/c1-17(2)37-29-27(36-30(37)24-15-20(7-11-26(24)42-5)31(40)35-12-13-39)32(41)38(25-16-22(34)8-6-18(25)3)28(29)23-10-9-21(33)14-19(23)4/h6-11,14-17,28,39H,12-13H2,1-5H3,(H,35,40)/t28-/m0/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM130042
PNG
(US8815926, 325)
Show SMILES COC[C@@H](C)n1c(nc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)-c1cnc(nc1OC)N(C)C |r|
Show InChI InChI=1S/C28H29Cl2N7O4/c1-15(14-40-5)36-23-21(32-24(36)19-12-31-28(34(2)3)33-25(19)41-6)27(39)37(18-11-20(30)26(38)35(4)13-18)22(23)16-7-9-17(29)10-8-16/h7-13,15,22H,14H2,1-6H3/t15-,22+/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236338
PNG
(US9365576, 91)
Show SMILES COc1ccc(CC(O)=O)cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C |r|
Show InChI InChI=1/C31H28Cl2N2O4/c1-17(2)34-26(23-13-19(14-28(36)37)6-12-27(23)39-4)16-24-30(34)29(20-7-10-21(32)11-8-20)35(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H,36,37)/t29-/s2
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n/an/a 0.0610n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236270
PNG
(US9365576, 23)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1 |r|
Show InChI InChI=1/C28H26Cl2N4O3/c1-15(2)33-23(21-14-31-28(37-5)32-26(21)36-4)13-20-25(33)24(17-7-10-18(29)11-8-17)34(27(20)35)22-12-19(30)9-6-16(22)3/h6-15,24H,1-5H3/t24-/s2
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n/an/a 0.0650n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM143673
PNG
(US8969341, 180)
Show SMILES COc1nc(ncc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c[nH]c1=O)N(C)C |r|
Show InChI InChI=1/C26H25Cl2N7O3/c1-13(2)21-19-20(32-35(21)18-12-30-26(33(3)4)31-24(18)38-5)25(37)34(17-10-16(28)11-29-23(17)36)22(19)14-6-8-15(27)9-7-14/h6-13,22H,1-5H3,(H,29,36)/t22-/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236261
PNG
(US9365576, 14)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1/C28H26Cl2N4O3/c1-15(2)33-23(21-14-31-28(37-5)32-26(21)36-4)13-20-25(33)24(17-7-10-18(29)11-8-17)34(27(20)35)22-12-19(30)9-6-16(22)3/h6-15,24H,1-5H3
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236476
PNG
(US9365576, 232)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c(=O)n(C)c1)N(C)C |r|
Show InChI InChI=1/C29H28ClN7O3/c1-16(2)36-23(21-14-32-29(34(3)4)33-26(21)40-6)12-20-25(36)24(18-9-7-17(13-31)8-10-18)37(27(20)38)19-11-22(30)28(39)35(5)15-19/h7-12,14-16,24H,1-6H3/t24-/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129796
PNG
(US8815926, 75)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1 |r|
Show InChI InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3/t23-/m0/s1
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US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129730
PNG
(US8815926, 9)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-15-20(31(39)36(5)6)9-13-26(24)41-7)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-12-11-21(33)14-19(23)4/h8-17,28H,1-7H3
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129738
PNG
(US8815926, 17)
Show SMILES COc1ccc(CNC(C)=O)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-30-28(36-31(37)25-14-21(16-35-20(5)39)8-12-27(25)41-6)32(40)38(26-15-23(34)9-7-18(26)3)29(30)24-11-10-22(33)13-19(24)4/h7-15,17,29H,16H2,1-6H3,(H,35,39)
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236471
PNG
(US9365576, 227)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]c1=O)N(C)C |r|
Show InChI InChI=1/C27H25Cl2FN6O3/c1-13(2)35-20(17-12-32-27(34(3)4)33-25(17)39-5)10-16-23(35)22(14-6-7-18(29)19(30)8-14)36(26(16)38)21-9-15(28)11-31-24(21)37/h6-13,22H,1-5H3,(H,31,37)/t22-/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236267
PNG
(US9365576, 20)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N(C)C |r|
Show InChI InChI=1/C32H31Cl2N3O3/c1-18(2)36-27(24-15-21(31(38)35(4)5)10-14-28(24)40-6)17-25-30(36)29(20-8-12-22(33)13-9-20)37(32(25)39)26-16-23(34)11-7-19(26)3/h7-18,29H,1-6H3/t29-/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236473
PNG
(US9365576, 229)
Show SMILES COC[C@@H](C)n1c(cc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(N)nc1OC |r|
Show InChI InChI=1/C27H24Cl2FN5O3/c1-14(13-37-2)34-22(19-12-32-27(31)33-25(19)38-3)11-18-24(34)23(15-4-6-16(28)7-5-15)35(26(18)36)17-8-9-21(30)20(29)10-17/h4-12,14,23H,13H2,1-3H3,(H2,31,32,33)/t14-,23+/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236435
PNG
(US9365576, 188)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1c[nH]c(=O)c(Cl)c1)N(C)C |r|
Show InChI InChI=1/C27H26Cl2N6O3/c1-14(2)34-21(19-13-31-27(33(3)4)32-25(19)38-5)11-18-23(34)22(15-6-8-16(28)9-7-15)35(26(18)37)17-10-20(29)24(36)30-12-17/h6-14,22H,1-5H3,(H,30,36)/t22-/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236336
PNG
(US9365576, 89)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(O)=O |r|
Show InChI InChI=1/C30H26Cl2N2O4/c1-16(2)33-25(22-13-19(30(36)37)8-12-26(22)38-4)15-23-28(33)27(18-6-10-20(31)11-7-18)34(29(23)35)24-14-21(32)9-5-17(24)3/h5-16,27H,1-4H3,(H,36,37)/t27-/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129945
PNG
(US8815926, 226)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NC(C)C |r|
Show InChI InChI=1S/C33H34Cl2N4O3/c1-17(2)36-32(40)21-9-13-27(42-7)25(15-21)31-37-28-30(38(31)18(3)4)29(24-12-11-22(34)14-20(24)6)39(33(28)41)26-16-23(35)10-8-19(26)5/h8-18,29H,1-7H3,(H,36,40)/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129947
PNG
(US8815926, 228)
Show SMILES COc1ccc(CNC(=O)CO)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C32H32Cl2N4O4/c1-17(2)37-30-28(36-31(37)24-13-20(7-11-26(24)42-5)15-35-27(40)16-39)32(41)38(25-14-22(34)8-6-18(25)3)29(30)23-10-9-21(33)12-19(23)4/h6-14,17,29,39H,15-16H2,1-5H3,(H,35,40)
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129966
PNG
(US8815926, 247)
Show SMILES COc1nc(ncc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1F)N(C)C
Show InChI InChI=1S/C28H24ClF2N7O2/c1-14(2)37-24-22(34-25(37)17-13-33-28(36(3)4)35-26(17)40-5)27(39)38(20-8-6-7-18(29)21(20)31)23(24)15-9-10-16(12-32)19(30)11-15/h6-11,13-14,23H,1-5H3
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129892
PNG
(US8815926, 173)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C28H23Cl2FN4O3/c1-14(2)34-25-23(33-27(34)19-12-16(26(32)36)6-11-22(19)38-3)28(37)35(18-9-10-21(31)20(30)13-18)24(25)15-4-7-17(29)8-5-15/h4-14,24H,1-3H3,(H2,32,36)
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM130000
PNG
(US8815926, 281)
Show SMILES COc1nc(ncc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cn(C)c1=O)N(C)C |r|
Show InChI InChI=1S/C27H27Cl2N7O3/c1-14(2)35-22-20(31-23(35)18-12-30-27(33(3)4)32-24(18)39-6)26(38)36(19-11-17(29)13-34(5)25(19)37)21(22)15-7-9-16(28)10-8-15/h7-14,21H,1-6H3/t21-/m0/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236368
PNG
(US9365576, 121 | US9365576, 218)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r|
Show InChI InChI=1/C27H25Cl2N5O4/c1-14(2)33-21(19-12-30-27(38-5)31-24(19)37-4)11-18-23(33)22(15-6-8-16(28)9-7-15)34(25(18)35)17-10-20(29)26(36)32(3)13-17/h6-14,22H,1-5H3/t22-/s2
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Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM130035
PNG
(US8815926, 317)
Show SMILES COC[C@@H](C)n1c(nc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(OC)nc1OC |r|
Show InChI InChI=1S/C27H24Cl2FN5O4/c1-14(13-37-2)34-23-21(32-24(34)18-12-31-27(39-4)33-25(18)38-3)26(36)35(17-9-10-20(30)19(29)11-17)22(23)15-5-7-16(28)8-6-15/h5-12,14,22H,13H2,1-4H3/t14-,22+/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129928
PNG
(US8815926, 209)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)NC(C)C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)35-31(39)21-10-14-26(41-6)24(15-21)30-36-27-29(37(30)18(3)4)28(20-8-12-22(33)13-9-20)38(32(27)40)25-16-23(34)11-7-19(25)5/h7-18,28H,1-6H3,(H,35,39)
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129942
PNG
(US8815926, 223)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C |r|
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-15-20(31(39)36(5)6)9-13-26(24)41-7)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-12-11-21(33)14-19(23)4/h8-17,28H,1-7H3/t28-/m0/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129838
PNG
(US8815926, 117)
Show SMILES COc1ncc(-c2nc3C(=O)N(C(c3n2[C@H](C)CO)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1 |r|
Show InChI InChI=1S/C27H25Cl2N5O4/c1-14-5-8-18(29)11-20(14)34-22(16-6-9-17(28)10-7-16)23-21(26(34)36)31-24(33(23)15(2)13-35)19-12-30-27(38-4)32-25(19)37-3/h5-12,15,22,35H,13H2,1-4H3/t15-,22?/m1/s1
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129737
PNG
(US8815926, 16)
Show SMILES COc1ccc(CN)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H30Cl2N4O2/c1-16(2)35-28-26(34-29(35)23-13-19(15-33)7-11-25(23)38-5)30(37)36(24-14-21(32)8-6-17(24)3)27(28)22-10-9-20(31)12-18(22)4/h6-14,16,27H,15,33H2,1-5H3
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236279
PNG
(US9365576, 32)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
Show InChI InChI=1/C32H31Cl2N3O3/c1-17(2)36-27(24-14-20(31(38)35-5)8-12-28(24)40-6)16-25-30(36)29(23-11-10-21(33)13-19(23)4)37(32(25)39)26-15-22(34)9-7-18(26)3/h7-17,29H,1-6H3,(H,35,38)/t29-/s2
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n/an/a 0.0940n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236265
PNG
(US9365576, 18)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C |r|
Show InChI InChI=1/C31H29Cl2N3O3/c1-17(2)35-26(23-14-20(30(37)34-4)9-13-27(23)39-5)16-24-29(35)28(19-7-11-21(32)12-8-19)36(31(24)38)25-15-22(33)10-6-18(25)3/h6-17,28H,1-5H3,(H,34,37)/t28-/s2
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n/an/a 0.0950n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM143676
PNG
(US8969341, 183)
Show SMILES COc1nc(ncc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c[nH]c1=O)N(C)C |r|
Show InChI InChI=1/C27H25ClN8O3/c1-14(2)22-20-21(33-36(22)19-13-31-27(34(3)4)32-25(19)39-5)26(38)35(18-10-17(28)12-30-24(18)37)23(20)16-8-6-15(11-29)7-9-16/h6-10,12-14,23H,1-5H3,(H,30,37)/t23-/s2
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n/an/a 0.0970n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129894
PNG
(US8815926, 175)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(N)=O
Show InChI InChI=1S/C29H26Cl2N4O3/c1-15(2)34-26-24(33-28(34)21-13-18(27(32)36)8-12-23(21)38-4)29(37)35(22-14-20(31)9-5-16(22)3)25(26)17-6-10-19(30)11-7-17/h5-15,25H,1-4H3,(H2,32,36)
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129884
PNG
(US8815926, 164)
Show SMILES COc1nc(ncc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cnc1O)N(C)C |r|
Show InChI InChI=1S/C26H25Cl2N7O3/c1-13(2)34-21-19(31-22(34)17-12-30-26(33(3)4)32-24(17)38-5)25(37)35(18-10-16(28)11-29-23(18)36)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3,(H,29,36)/t20-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17945
PNG
((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C |r|
Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/s1
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n/an/a 0.100n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM143548
PNG
(US8969341, 143)
Show SMILES COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C |r|
Show InChI InChI=1/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3/t31-/s2
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n/an/a 0.101n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM130001
PNG
(US8815926, 282)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cnc2O)c(OC)n1 |r|
Show InChI InChI=1S/C25H22Cl2N6O4/c1-12(2)32-20-18(30-21(32)16-11-29-25(37-4)31-23(16)36-3)24(35)33(17-9-15(27)10-28-22(17)34)19(20)13-5-7-14(26)8-6-13/h5-12,19H,1-4H3,(H,28,34)/t19-/m0/s1
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n/an/a 0.102n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM143574
PNG
(US8969341, 149)
Show SMILES COc1nc(ncc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C
Show InChI InChI=1/C27H27Cl2N7O3/c1-14(2)22-20-21(32-36(22)19-12-30-27(33(3)4)31-24(19)39-6)26(38)35(17-11-18(29)25(37)34(5)13-17)23(20)15-7-9-16(28)10-8-15/h7-14,23H,1-6H3
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n/an/a 0.103n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236308
PNG
(US9365576, 61)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(N)=O
Show InChI InChI=1/C30H27Cl2N3O3/c1-16(2)34-25(22-13-19(29(33)36)8-12-26(22)38-4)15-23-28(34)27(18-6-10-20(31)11-7-18)35(30(23)37)24-14-21(32)9-5-17(24)3/h5-16,27H,1-4H3,(H2,33,36)
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n/an/a 0.104n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236275
PNG
(US9365576, 28)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N1CCOCC1
Show InChI InChI=1/C34H33Cl2N3O4/c1-20(2)38-29(26-17-23(8-12-30(26)42-4)33(40)37-13-15-43-16-14-37)19-27-32(38)31(22-6-10-24(35)11-7-22)39(34(27)41)28-18-25(36)9-5-21(28)3/h5-12,17-20,31H,13-16H2,1-4H3
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n/an/a 0.106n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236368
PNG
(US9365576, 121 | US9365576, 218)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r|
Show InChI InChI=1/C27H25Cl2N5O4/c1-14(2)33-21(19-12-30-27(38-5)31-24(19)37-4)11-18-23(33)22(15-6-8-16(28)9-7-15)34(25(18)35)17-10-20(29)26(36)32(3)13-17/h6-14,22H,1-5H3/t22-/s2
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n/an/a 0.106n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236370
PNG
(US9365576, 123)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1/C27H26Cl2N6O3/c1-14(2)34-20(19-13-31-27(33(3)4)32-25(19)38-5)11-18-23(34)22(15-6-8-16(28)9-7-15)35(26(18)37)21-10-17(29)12-30-24(21)36/h6-14,22H,1-5H3,(H,30,36)
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n/an/a 0.106n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236481
PNG
(US9365576, 237)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(C#N)c(F)c2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r|
Show InChI InChI=1/C28H24ClFN6O4/c1-14(2)35-22(19-12-32-28(40-5)33-25(19)39-4)10-18-24(35)23(15-6-7-16(11-31)21(30)8-15)36(26(18)37)17-9-20(29)27(38)34(3)13-17/h6-10,12-14,23H,1-5H3/t23-/s2
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n/an/a 0.107n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM130034
PNG
(US8815926, 316)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2[C@H](C)CO)c2ccc(Cl)cc2)c2cccc(Cl)c2F)c(OC)n1 |r|
Show InChI InChI=1S/C26H22Cl2FN5O4/c1-13(12-35)33-22-20(31-23(33)16-11-30-26(38-3)32-24(16)37-2)25(36)34(18-6-4-5-17(28)19(18)29)21(22)14-7-9-15(27)10-8-14/h4-11,13,21,35H,12H2,1-3H3/t13-,21+/m1/s1
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n/an/a 0.107n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236433
PNG
(US9365576, 186)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r|
Show InChI InChI=1/C28H25ClN6O4/c1-15(2)34-22(20-13-31-28(39-5)32-25(20)38-4)11-19-24(34)23(17-8-6-16(12-30)7-9-17)35(26(19)36)18-10-21(29)27(37)33(3)14-18/h6-11,13-15,23H,1-5H3/t23-/s2
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n/an/a 0.108n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM236396
PNG
(US9365576, 149)
Show SMILES COc1cn(C)c(=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C
Show InChI InChI=1/C29H27Cl2N3O3/c1-16(2)33-24(21-14-26(35)32(4)15-25(21)37-5)13-22-28(33)27(18-7-10-19(30)11-8-18)34(29(22)36)23-12-20(31)9-6-17(23)3/h6-16,27H,1-5H3
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n/an/a 0.110n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
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