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Patent code US8846657

Compile Data Set for Download or QSAR

Found 356 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))		BDBM135445
PNG
(US8846657, 18.13)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cc(Cl)c[nH]c4=O)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;.61,-5.75,;-2.05,-5.75,;-3.39,-4.98,;-3.39,-3.44,;-4.72,-2.67,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135179
PNG
(US8846657, 3.72 | US8846657, 3.75 | US8846657, 3.7...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC(C)C2C)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;4.37,-.7,;5.91,-.7,;6.68,.64,;5.91,1.97,;6.68,3.3,;4.37,1.97,;3.6,3.3,;2.49,-4.46,;3.82,-5.23,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135372
PNG
(US8846657, 8.8 | US8846657, 8.9)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccncc2F)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;3.6,-.9,;4.93,-.13,;4.37,1.97,;3.6,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,;2.49,-4.46,;3.82,-5.23,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135144
PNG
(US8846657, 3.36)
Show SMILES CC(C)C1CCCN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:28.32,wD:25.28,(4.09,4.55,;3.32,3.21,;1.78,3.21,;4.09,1.88,;5.56,1.41,;5.56,-.13,;4.09,-.61,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.03,-3.98,;4.52,-4.38,;5.6,-3.29,;7.09,-3.69,;5.21,-1.81,;3.72,-1.41,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135248
PNG
(US8846657, 3.141)
Show SMILES CO[C@@H]1C[C@@H](C(F)F)N(C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.30,2.1,wD:30.34,4.4,(7.66,-.13,;6.33,-.9,;4.99,-.13,;4.99,1.41,;3.53,1.88,;2.76,3.21,;3.53,4.55,;1.22,3.21,;2.62,.64,;3.53,-.61,;1.08,.64,;.18,1.88,;-1.29,1.41,;-2.62,2.18,;-3.96,1.41,;-3.96,-.13,;-2.62,-.9,;-2.62,-2.44,;-1.29,-3.21,;-1.29,-4.75,;-2.62,-5.52,;-3.96,-4.75,;-5.29,-5.52,;-3.96,-3.21,;-1.29,-.13,;.18,-.61,;.58,-2.1,;2.06,-2.5,;3.15,-1.41,;4.64,-1.81,;5.04,-3.29,;6.53,-3.69,;3.95,-4.38,;2.46,-3.98,;-5.29,2.18,;-6.75,1.7,;-7.66,2.95,;-6.75,4.19,;-7.52,5.52,;-5.29,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135252
PNG
(US8846657, 3.145)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC(F)(F)[C@@H]23)CC1 |r,wU:4.4,32.36,wD:38.42,1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;2.15,4.2,;2.15,2.66,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135263
PNG
(US8846657, 3.156 | US8846657, 3.157 | US8846657, 3...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CC(F)C[C@@H]23)CC1 |r,wU:32.36,4.4,wD:37.40,1.0,(6.49,-5.41,;5.16,-4.64,;5.16,-3.1,;3.82,-2.33,;2.49,-3.1,;1.16,-2.33,;1.16,-.79,;2.06,.46,;1.16,1.7,;-.31,1.23,;-1.64,2,;-2.98,1.23,;-2.98,-.31,;-1.64,-1.08,;-1.64,-2.62,;-2.98,-3.39,;-2.98,-4.93,;-1.64,-5.7,;-.31,-4.93,;1.02,-5.7,;-.31,-3.39,;-.31,-.31,;-4.31,2,;-5.78,1.52,;-6.68,2.77,;-5.78,4.01,;-6.55,5.35,;-4.31,3.54,;3.6,.46,;4.37,-.88,;5.91,-.88,;6.68,.46,;5.91,1.79,;6.39,3.26,;5.14,4.16,;5.14,5.7,;3.89,3.26,;4.37,1.79,;2.49,-4.64,;3.82,-5.41,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135342
PNG
(US8846657, 6.15 | US8846657, 6.16 | US8846657, 6.1...)
Show SMILES CCOC(C1CC1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.31,wD:24.27,(6.27,.64,;5.5,-.7,;3.96,-.7,;3.19,.64,;3.96,1.97,;5.29,2.74,;3.96,3.51,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.03,-3.98,;4.52,-4.38,;5.6,-3.29,;7.09,-3.69,;5.21,-1.81,;3.72,-1.41,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135351
PNG
(US8846657, 7.1 | US8846657, 7.2)
Show SMILES CCOC(c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1ccccc1 |r,wU:21.23,wD:24.27,(3.76,6.68,;3.36,5.2,;4.45,4.11,;4.05,2.62,;2.56,2.22,;1.66,3.47,;.19,2.99,;-1.14,3.76,;-2.47,2.99,;-2.47,1.45,;-1.14,.68,;-1.14,-.86,;.19,-1.63,;.19,-3.17,;-1.14,-3.94,;-2.47,-3.17,;-3.81,-3.94,;-2.47,-1.63,;.19,1.45,;1.66,.98,;3.37,-.73,;2.97,-2.22,;4.06,-3.31,;3.66,-4.8,;2.17,-5.2,;1.78,-6.68,;1.09,-4.11,;1.48,-2.62,;-3.81,3.76,;-3.81,5.3,;-5.27,5.78,;-6.18,4.53,;-7.72,4.53,;-5.27,3.29,;5.14,1.53,;4.74,.04,;5.83,-1.04,;7.32,-.65,;7.72,.84,;6.63,1.93,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135374
PNG
(US8846657, 8.10 | US8846657, 8.11)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2C)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;3.6,-.9,;4.93,-.13,;4.37,1.97,;3.6,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,;2.49,-4.46,;3.82,-5.23,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135397
PNG
(US8846657, 11.2)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3c(Cl)c(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:4.4,33.37,wD:1.0,37.40,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-2.05,3.72,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135251
PNG
(US8846657, 3.144)
Show SMILES COCCO[C@@H]1C[C@@H](C(C)C)N(C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:30.33,5.4,wD:33.37,7.7,(9.45,-2.6,;8.36,-1.52,;6.87,-1.91,;5.78,-.83,;4.29,-1.22,;3.2,-.13,;3.2,1.41,;1.74,1.88,;.97,3.21,;-.57,3.21,;1.74,4.55,;.83,.64,;1.74,-.61,;-.71,.64,;-1.61,1.88,;-3.08,1.41,;-4.41,2.18,;-5.74,1.41,;-5.74,-.13,;-4.41,-.9,;-4.41,-2.44,;-3.08,-3.21,;-3.08,-4.75,;-4.41,-5.52,;-5.74,-4.75,;-7.08,-5.52,;-5.74,-3.21,;-3.08,-.13,;-1.61,-.61,;-1.21,-2.1,;.28,-2.5,;1.36,-1.41,;2.85,-1.81,;3.25,-3.29,;4.74,-3.69,;2.16,-4.38,;.67,-3.98,;-7.08,2.18,;-8.54,1.7,;-9.45,2.95,;-8.54,4.19,;-9.31,5.52,;-7.08,3.72,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135107
PNG
(US8846657, 2.2)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135239
PNG
(US8846657, 3.132)
Show SMILES CC(C)[C@@H]1C[C@](C)(O)CN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.30,5.5,wD:30.34,5.6,3.2,(4.09,4.55,;3.32,3.21,;1.78,3.21,;4.09,1.88,;5.56,1.41,;5.56,-.13,;7.1,-.13,;6.33,-1.47,;4.09,-.61,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.06,2.18,;-3.39,1.41,;-3.39,-.13,;-2.06,-.9,;-2.06,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.06,-5.52,;-3.39,-4.75,;-4.73,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;.74,-2.15,;2.07,-2.92,;3.41,-2.15,;4.74,-2.92,;4.74,-4.46,;6.07,-5.23,;3.41,-5.23,;2.07,-4.46,;-4.73,2.18,;-6.19,1.7,;-7.1,2.95,;-6.19,4.19,;-6.96,5.52,;-4.73,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135253
PNG
(US8846657, 3.146)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2[C@@H]3CCC[C@H]3OCC2C)CC1 |r,wU:1.0,33.36,wD:4.4,29.33,(7.18,-4.41,;5.69,-4.02,;4.61,-5.1,;3.12,-4.71,;2.72,-3.22,;1.23,-2.82,;.65,-.61,;1.56,.64,;.65,1.88,;-.81,1.41,;-2.15,2.18,;-3.48,1.41,;-3.48,-.13,;-2.15,-.9,;-2.15,-2.44,;-.81,-3.21,;-.81,-4.75,;-2.15,-5.52,;-3.48,-4.75,;-4.81,-5.52,;-3.48,-3.21,;-.81,-.13,;-4.81,2.18,;-6.28,1.7,;-7.18,2.95,;-6.28,4.19,;-7.05,5.52,;-4.81,3.72,;3.1,.64,;3.87,1.97,;3.39,3.43,;4.64,4.34,;5.88,3.43,;5.41,1.97,;6.18,.64,;5.41,-.7,;3.87,-.7,;3.1,-2.03,;3.81,-2.13,;5.3,-2.53,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135254
PNG
(US8846657, 3.147)
Show SMILES CC[C@@H]1[C@@H](C)OCCN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:26.29,3.3,wD:29.33,2.1,(3.96,4.64,;3.19,3.3,;3.96,1.97,;5.5,1.97,;6.27,3.3,;6.27,.64,;5.5,-.7,;3.96,-.7,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135274
PNG
(US8846657, 3.167 | US8846657, 3.168)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CC(C)OC3CCCC23)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;4.37,-.7,;5.91,-.7,;6.68,-2.03,;6.68,.64,;5.91,1.97,;6.39,3.43,;5.14,4.34,;3.89,3.43,;4.37,1.97,;2.49,-4.46,;3.82,-5.23,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135320
PNG
(US8846657, 5.23)
Show SMILES CCN(C)C(=O)N1C[C@@H](C)N([C@H](C)C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:8.8,31.34,wD:11.11,34.38,(8.99,-2.03,;8.22,-.7,;6.68,-.7,;6.68,-2.24,;5.91,.64,;6.68,1.97,;4.37,.64,;3.6,-.7,;2.06,-.7,;1.29,-2.03,;1.29,.64,;2.06,1.97,;1.29,3.3,;3.6,1.97,;-.25,.64,;-1.15,1.88,;-2.62,1.41,;-3.95,2.18,;-5.29,1.41,;-5.29,-.13,;-3.95,-.9,;-3.95,-2.44,;-2.62,-3.21,;-2.62,-4.75,;-3.95,-5.52,;-5.29,-4.75,;-6.62,-5.52,;-5.29,-3.21,;-2.62,-.13,;-1.15,-.61,;-.76,-2.78,;.73,-3.18,;1.82,-2.09,;3.31,-2.49,;3.71,-3.98,;5.19,-4.38,;2.62,-5.07,;1.13,-4.67,;-6.62,2.18,;-8.09,1.7,;-8.99,2.95,;-8.09,4.19,;-8.86,5.52,;-6.62,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135399
PNG
(US8846657, 11.4)
Show SMILES COc1c(nc(-c2cncc(Cl)c2)c2n(C[C@H]3CC[C@H](C)CC3)c(nc12)N1CCO[C@@H]2CCC[C@@H]12)-c1noc(=O)[nH]1 |r,wU:16.16,30.34,wD:19.20,34.37,(.05,5,;-1.28,4.23,;-1.28,2.69,;-2.62,1.93,;-2.62,.38,;-1.28,-.38,;-1.28,-1.93,;.05,-2.69,;.05,-4.23,;-1.28,-5,;-2.62,-4.23,;-3.95,-5,;-2.62,-2.69,;.05,.38,;1.51,-.09,;1.91,-1.58,;3.4,-1.98,;4.49,-.89,;5.98,-1.29,;6.37,-2.77,;7.86,-3.17,;5.29,-3.86,;3.8,-3.46,;2.42,1.15,;1.51,2.4,;.05,1.93,;3.96,1.15,;4.73,-.18,;6.27,-.18,;7.04,1.15,;6.27,2.49,;6.74,3.95,;5.5,4.86,;4.25,3.95,;4.73,2.49,;-3.95,2.69,;-3.95,4.23,;-5.42,4.71,;-6.32,3.47,;-7.86,3.47,;-5.42,2.22,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135411
PNG
(US8846657, 14.1)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2nnn[nH]2)N2CCC[C@H]2C(F)(F)F)CC1 |r,wU:1.0,wD:4.4,31.36,(7.09,-3.36,;5.6,-2.96,;4.52,-4.05,;3.03,-3.65,;2.63,-2.16,;1.14,-1.76,;.74,-.28,;1.65,.97,;.74,2.22,;-.72,1.74,;-2.05,2.51,;-3.39,1.74,;-3.39,.2,;-2.05,-.57,;-2.05,-2.11,;-.72,-2.88,;-.72,-4.42,;-2.05,-5.19,;-3.39,-4.42,;-4.72,-5.19,;-3.39,-2.88,;-.72,.2,;-4.72,2.51,;-6.19,2.03,;-7.09,3.28,;-6.19,4.53,;-4.72,4.05,;3.19,.97,;4.09,-.28,;5.56,.2,;5.56,1.74,;4.09,2.22,;3.7,3.7,;2.21,4.1,;4.78,4.79,;3.3,5.19,;3.72,-1.07,;5.21,-1.47,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135417
PNG
(US8846657, 15.1)
Show SMILES CCON(C1CC1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C(C)[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:25.28,wD:28.32,(6.68,-2.03,;5.91,-.7,;4.37,-.7,;3.6,.64,;4.37,1.97,;5.7,2.75,;4.37,3.51,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;.39,-3.48,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135112
PNG
(US8846657, 3.2)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:4.4,32.36,wD:1.0,36.39,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135158
PNG
(US8846657, 3.50 | US8846657, 3.53 | US8846657, 3.5...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2nonc2C)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.78,;5.6,-3.38,;4.52,-4.47,;3.03,-4.08,;2.63,-2.59,;1.14,-2.19,;.74,-.7,;1.65,.54,;.74,1.79,;-.72,1.31,;-2.05,2.08,;-3.39,1.31,;-3.39,-.23,;-2.05,-1,;-2.05,-2.54,;-.72,-3.31,;-.72,-4.85,;-2.05,-5.62,;-3.39,-4.85,;-4.72,-5.62,;-3.39,-3.31,;-.72,-.23,;-4.72,2.08,;-6.19,1.61,;-7.09,2.85,;-6.19,4.1,;-6.96,5.43,;-4.72,3.62,;3.19,.54,;4.09,-.7,;5.56,-.23,;5.56,1.31,;4.09,1.79,;3.32,3.12,;1.86,3.6,;1.86,5.14,;3.32,5.62,;4.23,4.37,;5.77,4.37,;3.72,-1.5,;5.21,-1.9,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135205
PNG
(US8846657, 3.98)
Show SMILES C[C@H]1CC[C@H](Cn2c(Nc3ccccc3F)nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.69,;5.6,-3.29,;4.52,-4.38,;3.03,-3.98,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;3.19,.64,;3.96,1.97,;3.19,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.72,-1.41,;5.21,-1.81,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135209
PNG
(US8846657, 3.102 | US8846657, 3.103)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2nc(C)no2)CC1 |r,wU:1.0,wD:4.4,(6.59,-5.54,;5.25,-4.77,;3.92,-5.54,;2.58,-4.77,;2.58,-3.23,;1.25,-2.46,;1.25,-.92,;2.16,.33,;1.25,1.58,;-.21,1.1,;-1.55,1.87,;-2.88,1.1,;-2.88,-.44,;-1.55,-1.21,;-1.55,-2.75,;-.21,-3.52,;-.21,-5.06,;-1.55,-5.83,;-2.88,-5.06,;-4.22,-5.83,;-2.88,-3.52,;-.21,-.44,;-4.22,1.87,;-5.68,1.39,;-6.59,2.64,;-5.68,3.89,;-6.45,5.22,;-4.22,3.41,;3.7,.33,;4.6,-.92,;6.07,-.44,;6.07,1.1,;4.6,1.58,;3.83,2.91,;2.37,3.39,;2.37,4.93,;1.12,5.83,;3.83,5.4,;4.74,4.16,;3.92,-2.46,;5.25,-3.23,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135319
PNG
(US8846657, 5.22)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2[C@H](C)CN(C[C@H]2C)C(=O)N(C)C)CC1 |r,wU:4.4,29.33,wD:1.0,34.39,(5.58,-4.38,;4.09,-3.98,;3.69,-2.49,;2.21,-2.09,;1.12,-3.18,;-.37,-2.78,;-.77,-.61,;.14,.64,;-.77,1.88,;-2.23,1.41,;-3.57,2.18,;-4.9,1.41,;-4.9,-.13,;-3.57,-.9,;-3.57,-2.44,;-2.23,-3.21,;-2.23,-4.75,;-3.57,-5.52,;-4.9,-4.75,;-6.24,-5.52,;-4.9,-3.21,;-2.23,-.13,;-6.24,2.18,;-7.7,1.7,;-8.61,2.95,;-7.7,4.19,;-8.47,5.52,;-6.24,3.72,;1.68,.64,;2.45,-.7,;1.68,-2.03,;3.99,-.7,;4.76,.64,;3.99,1.97,;2.45,1.97,;1.68,3.3,;6.3,.64,;7.07,1.97,;7.07,-.7,;8.61,-.7,;7.07,-2.24,;1.51,-4.67,;3,-5.07,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135370
PNG
(US8846657, 8.6 | US8846657, 8.7)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-3.39,-3.21,;-3.39,-4.75,;-2.05,-5.52,;-.72,-4.75,;.61,-5.52,;-.72,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135188
PNG
(US8846657, 3.81)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2nccs2)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.86,;5.6,-3.46,;4.52,-4.55,;3.03,-4.15,;2.63,-2.66,;1.14,-2.27,;.74,-.78,;1.65,.47,;.74,1.71,;-.72,1.24,;-2.05,2.01,;-3.39,1.24,;-3.39,-.3,;-2.05,-1.07,;-2.05,-2.61,;-.72,-3.38,;-.72,-4.92,;-2.05,-5.69,;-3.39,-4.92,;-4.72,-5.69,;-3.39,-3.38,;-.72,-.3,;-4.72,2.01,;-6.19,1.53,;-7.09,2.78,;-6.19,4.02,;-6.96,5.36,;-4.72,3.55,;3.19,.47,;4.09,-.78,;5.56,-.3,;5.56,1.24,;4.09,1.71,;3.7,3.2,;2.23,3.68,;2.23,5.22,;3.7,5.69,;4.6,4.45,;3.72,-1.58,;5.21,-1.97,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135367
PNG
(US8846657, 8.3 | US8846657, 8.4)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;3.19,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135147
PNG
(US8846657, 3.39)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)C(O)=O)N2CCC[C@H]2C(F)(F)F)CC1 |r,wU:4.4,wD:1.0,29.33,(6.57,-3.2,;5.09,-2.81,;4.69,-1.32,;3.2,-.92,;2.11,-2.01,;.62,-1.61,;.23,-.12,;1.13,1.12,;.23,2.37,;-1.24,1.89,;-2.57,2.66,;-3.91,1.89,;-3.91,.35,;-2.57,-.42,;-2.57,-1.96,;-1.24,-2.73,;-1.24,-4.27,;-2.57,-5.04,;-3.91,-4.27,;-5.24,-5.04,;-3.91,-2.73,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;2.67,1.12,;3.58,-.12,;5.04,.35,;5.04,1.89,;3.58,2.37,;2.81,3.7,;3.58,5.04,;1.27,3.7,;2.04,5.04,;2.51,-3.5,;4,-3.89,)|
Show InChI InChI=1S/C25H27ClF3N5O2/c1-14-4-6-15(7-5-14)13-34-22-18(32-24(34)33-8-2-3-20(33)25(27,28)29)10-19(23(35)36)31-21(22)16-9-17(26)12-30-11-16/h9-12,14-15,20H,2-8,13H2,1H3,(H,35,36)/t14-,15-,20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135286
PNG
(US8846657, 4.3 | US8846657, 4.4)
Show SMILES CC([C@H]1CC[C@H](C)CC1)n1c(nc2cc(nc(-c3cncc(Cl)c3)c12)-c1noc(=O)[nH]1)N1CCOC[C@H]1C |r,wU:2.1,wD:5.5,36.42,(.05,-3.19,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;3.96,1.97,;3.19,3.3,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135111
PNG
(US8846657, 3.1)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCC[C@H]2CF)CC1 |r,wU:4.4,wD:1.0,32.37,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.09,-.61,;5.56,-.13,;5.56,1.41,;4.09,1.88,;3.32,3.21,;4.09,4.55,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135198
PNG
(US8846657, 3.91)
Show SMILES CC(C)C1C[C@@H](O)CN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:26.29,5.5,wD:29.33,(4.88,4.46,;3.8,3.37,;2.31,3.77,;4.19,1.88,;5.66,1.41,;5.66,-.13,;6.99,-.9,;4.19,-.61,;3.29,.64,;1.75,.64,;.84,1.88,;-.62,1.41,;-1.95,2.18,;-3.29,1.41,;-3.29,-.13,;-1.95,-.9,;-1.95,-2.44,;-.62,-3.21,;-.62,-4.75,;-1.95,-5.52,;-3.29,-4.75,;-4.62,-5.52,;-3.29,-3.21,;-.62,-.13,;.84,-.61,;.84,-2.15,;2.18,-2.92,;3.51,-2.15,;4.84,-2.92,;4.84,-4.46,;6.18,-5.23,;3.51,-5.23,;2.18,-4.46,;-4.62,2.18,;-6.09,1.7,;-6.99,2.95,;-6.09,4.19,;-6.86,5.52,;-4.62,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135199
PNG
(US8846657, 3.92)
Show SMILES CO[C@@H]1C[C@@H](CF)N(C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:26.29,2.1,wD:29.33,4.4,(7.66,-.13,;6.33,-.9,;4.99,-.13,;4.99,1.41,;3.53,1.88,;2.76,3.21,;3.53,4.55,;2.62,.64,;3.53,-.61,;1.08,.64,;.18,1.88,;-1.29,1.41,;-2.62,2.18,;-3.96,1.41,;-3.96,-.13,;-2.62,-.9,;-2.62,-2.44,;-1.29,-3.21,;-1.29,-4.75,;-2.62,-5.52,;-3.96,-4.75,;-5.29,-5.52,;-3.96,-3.21,;-1.29,-.13,;.18,-.61,;.18,-2.15,;1.51,-2.92,;2.84,-2.15,;4.18,-2.92,;4.18,-4.46,;5.51,-5.23,;2.84,-5.23,;1.51,-4.46,;-5.29,2.18,;-6.75,1.7,;-7.66,2.95,;-6.75,4.19,;-7.52,5.52,;-5.29,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135241
PNG
(US8846657, 3.134 | US8846657, 3.135 | US8846657, 3...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CC(O)CC3CCCCC23)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,-2.03,;6.27,.64,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135292
PNG
(US8846657, 4.10 | US8846657, 4.9)
Show SMILES CC(C)[C@@H]1C[C@@H](O)CN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C(C)[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:5.5,27.30,wD:3.2,30.34,(4.78,4.46,;3.7,3.37,;2.21,3.77,;4.09,1.88,;5.56,1.41,;5.56,-.13,;6.89,-.9,;4.09,-.61,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;.05,-3.19,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135402
PNG
(US8846657, 12.1)
Show SMILES COCC(C)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C(C)[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:23.25,wD:26.29,(6.27,-2.03,;5.5,-.7,;3.96,-.7,;3.19,.64,;3.96,1.97,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;.05,-3.19,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135406
PNG
(US8846657, 13.1)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)C(=O)NS(C)(=O)=O)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:1.0,33.36,wD:4.4,37.39,(7.91,-3.1,;6.42,-2.7,;5.33,-3.79,;3.84,-3.39,;3.45,-1.9,;1.96,-1.51,;1.56,-.02,;2.46,1.23,;1.56,2.47,;.09,2,;-1.24,2.77,;-2.57,2,;-2.57,.46,;-1.24,-.31,;-1.24,-1.85,;.09,-2.62,;.09,-4.16,;-1.24,-4.93,;-2.57,-4.16,;-3.91,-4.93,;-2.57,-2.62,;.09,.46,;-3.91,2.77,;-3.91,4.31,;-5.24,2,;-6.57,2.77,;-7.91,2,;-7.34,4.1,;-5.8,4.1,;4,1.23,;4.77,-.11,;6.31,-.11,;7.08,1.23,;6.31,2.56,;6.79,4.03,;5.54,4.93,;4.3,4.03,;4.77,2.56,;4.53,-.81,;6.02,-1.21,)|
Show InChI InChI=1S/C28H35ClN6O4S/c1-17-6-8-18(9-7-17)16-35-26-21(32-28(35)34-10-11-39-24-5-3-4-23(24)34)13-22(27(36)33-40(2,37)38)31-25(26)19-12-20(29)15-30-14-19/h12-15,17-18,23-24H,3-11,16H2,1-2H3,(H,33,36)/t17-,18-,23-,24-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135435
PNG
(US8846657, 18.3)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cc(Cl)cnc4C)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:4.4,33.37,wD:1.0,37.40,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;.61,-5.52,;-2.05,-5.52,;-3.39,-4.75,;-3.39,-3.21,;-4.72,-2.44,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135131
PNG
(US8846657, 3.22)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,30.34,(6.57,-3.92,;5.09,-3.52,;4.69,-2.03,;3.2,-1.63,;2.11,-2.72,;.62,-2.32,;.23,-.83,;1.13,.41,;.23,1.66,;-1.24,1.18,;-2.57,1.95,;-3.91,1.18,;-3.91,-.36,;-2.57,-1.13,;-2.57,-2.67,;-1.24,-3.44,;-1.24,-4.98,;-2.57,-5.75,;-3.91,-4.98,;-5.24,-5.75,;-3.91,-3.44,;-1.24,-.36,;-5.24,1.95,;-6.57,1.18,;-5.24,3.49,;2.67,.41,;3.44,-.92,;4.98,-.92,;5.75,.41,;4.98,1.75,;3.44,1.75,;2.67,3.08,;3.44,4.41,;2.67,5.75,;1.13,5.75,;.36,4.41,;1.13,3.08,;2.51,-4.21,;4,-4.61,)|
Show InChI InChI=1S/C30H32ClN5O3/c1-19-7-9-20(10-8-19)17-36-28-24(14-25(29(37)38)33-27(28)22-13-23(31)16-32-15-22)34-30(36)35-11-12-39-18-26(35)21-5-3-2-4-6-21/h2-6,13-16,19-20,26H,7-12,17-18H2,1H3,(H,37,38)/t19-,20-,26-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135154
PNG
(US8846657, 3.46)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2C2CC2)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.69,;5.6,-3.29,;4.52,-4.38,;3.03,-3.98,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.09,-.61,;5.56,-.13,;5.56,1.41,;4.09,1.88,;3.32,3.21,;3.32,4.75,;1.99,3.98,;3.72,-1.41,;5.21,-1.81,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135158
PNG
(US8846657, 3.50 | US8846657, 3.53 | US8846657, 3.5...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2nonc2C)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.78,;5.6,-3.38,;4.52,-4.47,;3.03,-4.08,;2.63,-2.59,;1.14,-2.19,;.74,-.7,;1.65,.54,;.74,1.79,;-.72,1.31,;-2.05,2.08,;-3.39,1.31,;-3.39,-.23,;-2.05,-1,;-2.05,-2.54,;-.72,-3.31,;-.72,-4.85,;-2.05,-5.62,;-3.39,-4.85,;-4.72,-5.62,;-3.39,-3.31,;-.72,-.23,;-4.72,2.08,;-6.19,1.61,;-7.09,2.85,;-6.19,4.1,;-6.96,5.43,;-4.72,3.62,;3.19,.54,;4.09,-.7,;5.56,-.23,;5.56,1.31,;4.09,1.79,;3.32,3.12,;1.86,3.6,;1.86,5.14,;3.32,5.62,;4.23,4.37,;5.77,4.37,;3.72,-1.5,;5.21,-1.9,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135178
PNG
(US8846657, 3.70)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCC[C@H]2C(F)F)CC1 |r,wU:1.0,wD:4.4,32.37,(7.09,-3.69,;5.6,-3.29,;4.52,-4.38,;3.03,-3.98,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.09,-.61,;5.56,-.13,;5.56,1.41,;4.09,1.88,;3.7,3.37,;2.21,3.77,;4.78,4.46,;3.72,-1.41,;5.21,-1.81,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135197
PNG
(US8846657, 3.90)
Show SMILES CO[C@@H]1C[C@@H](C(C)C)N(C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.30,2.1,wD:30.34,4.4,(7.66,-.13,;6.33,-.9,;4.99,-.13,;4.99,1.41,;3.53,1.88,;3.13,3.37,;1.64,3.77,;4.22,4.46,;2.62,.64,;3.53,-.61,;1.08,.64,;.18,1.88,;-1.29,1.41,;-2.62,2.18,;-3.96,1.41,;-3.96,-.13,;-2.62,-.9,;-2.62,-2.44,;-1.29,-3.21,;-1.29,-4.75,;-2.62,-5.52,;-3.96,-4.75,;-5.29,-5.52,;-3.96,-3.21,;-1.29,-.13,;.18,-.61,;.18,-2.15,;1.51,-2.92,;2.84,-2.15,;4.18,-2.92,;4.18,-4.46,;5.51,-5.23,;2.84,-5.23,;1.51,-4.46,;-5.29,2.18,;-6.75,1.7,;-7.66,2.95,;-6.75,4.19,;-7.52,5.52,;-5.29,3.72,)|
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n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135201
PNG
(US8846657, 3.94)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N(C)CC(F)(F)F)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.69,;5.6,-3.29,;4.52,-4.38,;3.03,-3.98,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;3.96,1.97,;3.19,3.3,;3.96,4.64,;4.68,2.9,;1.7,3.7,;3.72,-1.41,;5.21,-1.81,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135213
PNG
(US8846657, 3.106)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2csc(C)n2)CC1 |r,wU:1.0,wD:4.4,(7.09,-4.45,;5.6,-4.05,;4.52,-5.14,;3.03,-4.74,;2.63,-3.25,;1.14,-2.86,;.74,-1.37,;1.65,-.12,;.74,1.12,;-.72,.65,;-2.05,1.42,;-3.39,.65,;-3.39,-.89,;-2.05,-1.66,;-2.05,-3.2,;-.72,-3.97,;-.72,-5.51,;-2.05,-6.28,;-3.39,-5.51,;-4.72,-6.28,;-3.39,-3.97,;-.72,-.89,;-4.72,1.42,;-6.19,.94,;-7.09,2.19,;-6.19,3.43,;-6.96,4.77,;-4.72,2.96,;3.19,-.12,;4.09,-1.37,;5.56,-.89,;5.56,.65,;4.09,1.12,;3.32,2.46,;1.86,2.93,;1.86,4.47,;3.32,4.95,;4.09,6.28,;4.23,3.7,;3.72,-2.17,;5.21,-2.56,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135267
PNG
(US8846657, 3.160 | US8846657, 3.161)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCOC3CCCC23)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-3.39,-3.21,;-3.39,-4.75,;-2.05,-5.52,;-.72,-4.75,;.61,-5.52,;-.72,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.98,-.69,;5.5,-.89,;6.62,.17,;6.48,1.7,;5.19,2.55,;5.19,4.09,;3.73,4.57,;2.82,3.32,;3.73,2.08,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135292
PNG
(US8846657, 4.10 | US8846657, 4.9)
Show SMILES CC(C)[C@@H]1C[C@@H](O)CN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C(C)[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:5.5,27.30,wD:3.2,30.34,(4.78,4.46,;3.7,3.37,;2.21,3.77,;4.09,1.88,;5.56,1.41,;5.56,-.13,;6.89,-.9,;4.09,-.61,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;.05,-3.19,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135300
PNG
(US8846657, 5.3 | US8846657, 5.4)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2[C@H](C)CN(C[C@H]2C)C(=O)C2CC2)CC1 |r,wU:4.4,29.33,wD:1.0,34.39,(5.68,-3.69,;4.19,-3.29,;3.8,-1.81,;2.31,-1.41,;1.22,-2.5,;-.27,-2.1,;-.67,-.61,;.24,.64,;-.67,1.88,;-2.13,1.41,;-3.47,2.18,;-4.8,1.41,;-4.8,-.13,;-3.47,-.9,;-3.47,-2.44,;-2.13,-3.21,;-2.13,-4.75,;-3.47,-5.52,;-4.8,-4.75,;-6.13,-5.52,;-4.8,-3.21,;-2.13,-.13,;-6.13,2.18,;-7.6,1.7,;-8.5,2.95,;-7.6,4.19,;-8.37,5.52,;-6.13,3.72,;1.78,.64,;2.55,-.7,;1.21,-1.47,;4.09,-.7,;4.86,.64,;4.09,1.97,;2.55,1.97,;1.78,3.3,;6.4,.64,;7.17,1.97,;7.17,-.7,;7.17,-2.24,;8.5,-1.47,;1.62,-3.98,;3.11,-4.38,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM135438
PNG
(US8846657, 18.6)
Show SMILES COc1ncc(Cl)cc1-c1nc(cc2nc(N3CCO[C@@H]4CCC[C@@H]34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1 |r,wU:20.21,27.29,wD:24.24,30.33,(-5.64,-3.21,;-4.31,-2.44,;-2.98,-3.21,;-2.98,-4.75,;-1.64,-5.52,;-.31,-4.75,;1.02,-5.52,;-.31,-3.21,;-1.64,-2.44,;-1.64,-.9,;-2.98,-.13,;-2.98,1.41,;-1.64,2.18,;-.31,1.41,;1.16,1.88,;2.06,.64,;3.6,.64,;4.37,-.7,;5.91,-.7,;6.68,.64,;5.91,1.97,;6.39,3.43,;5.14,4.34,;3.89,3.43,;4.37,1.97,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,)|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...

US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%