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Compile Data Set for Download or QSAR

Found 356 hits Enz. Inhib. hit(s) with all data for entry = 6510   
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))
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))
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))
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))
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))
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))
BDBM135276
PNG
(US8846657, 3.169 | US8846657, 3.170)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CC(C)O[C@H](C)[C@H]2C)CC1 |r,wU:4.4,33.37,wD:1.0,35.40,(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,;6.68,3.3,;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))
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))
BDBM135291
PNG
(US8846657, 4.8)
Show SMILES CO[C@@H]1C[C@@H](CF)N(C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C(C)[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,;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,;-.91,-3.24,;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))
BDBM135106
PNG
(US8846657, 2.1)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)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))
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))
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))
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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US Patent
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))
BDBM135113
PNG
(US8846657, 3.3)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2C(F)(F)F)CC1 |r,wU:4.4,wD:1.0,(7.86,-3.03,;6.37,-2.63,;5.98,-1.14,;4.49,-.74,;3.4,-1.83,;1.91,-1.43,;1.51,.06,;2.42,1.3,;1.51,2.55,;.05,2.07,;-1.28,2.84,;-2.62,2.07,;-2.62,.53,;-1.28,-.24,;-1.28,-1.78,;.05,-2.55,;.05,-4.09,;-1.28,-4.86,;-2.62,-4.09,;-3.95,-4.86,;-2.62,-2.55,;.05,.53,;-3.95,2.84,;-3.95,4.38,;-5.42,4.86,;-6.32,3.61,;-7.86,3.61,;-5.42,2.37,;3.96,1.3,;4.86,.06,;6.33,.53,;6.33,2.07,;4.87,2.64,;4.42,4.11,;3.97,5.58,;2.95,3.66,;5.89,4.57,;3.8,-3.32,;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))
BDBM135117
PNG
(US8846657, 3.7)
Show SMILES COC(C)(C)[C@@H]1CCCN1c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.30,wD:30.34,5.4,(3.32,5.7,;4.09,4.37,;3.32,3.04,;1.99,2.27,;1.99,3.81,;4.09,1.7,;5.56,1.23,;5.56,-.31,;4.09,-.79,;3.19,.46,;1.65,.46,;.74,1.7,;-.72,1.23,;-2.05,2,;-3.39,1.23,;-3.39,-.31,;-2.05,-1.08,;-2.05,-2.62,;-.72,-3.39,;-.72,-4.93,;-2.05,-5.7,;-3.39,-4.93,;-4.72,-5.7,;-3.39,-3.39,;-.72,-.31,;.74,-.79,;1.14,-2.28,;2.63,-2.68,;3.72,-1.59,;5.21,-1.99,;5.6,-3.47,;7.09,-3.87,;4.52,-4.56,;3.03,-4.16,;-4.72,2,;-6.19,1.52,;-7.09,2.77,;-6.19,4.01,;-6.96,5.35,;-4.72,3.54,)|
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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))
BDBM135115
PNG
(US8846657, 3.10 | US8846657, 3.11 | US8846657, 3.5)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC3CCCCC23)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,.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))
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))
BDBM135134
PNG
(US8846657, 3.26 | US8846657, 3.27 | US8846657, 3.2...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC3CCCC23)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,.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))
BDBM135148
PNG
(US8846657, 3.40 | US8846657, 3.43 | US8846657, 3.4...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOCC2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.45,;5.16,-4.68,;5.16,-3.14,;3.82,-2.37,;2.49,-3.14,;1.16,-2.37,;1.16,-.83,;2.06,.41,;1.16,1.66,;-.31,1.18,;-1.64,1.95,;-2.98,1.18,;-2.98,-.36,;-1.64,-1.13,;-1.64,-2.67,;-.31,-3.44,;-.31,-4.98,;-1.64,-5.75,;-2.98,-4.98,;-4.31,-5.75,;-2.98,-3.44,;-.31,-.36,;-4.31,1.95,;-5.78,1.48,;-6.68,2.72,;-5.78,3.97,;-6.55,5.3,;-4.31,3.49,;3.6,.41,;4.37,-.92,;5.91,-.92,;6.68,.41,;5.91,1.75,;4.37,1.75,;3.6,3.08,;2.06,3.08,;1.29,4.41,;2.06,5.75,;3.6,5.75,;4.37,4.41,;5.91,4.41,;2.49,-4.68,;3.82,-5.45,)|
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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))
BDBM135148
PNG
(US8846657, 3.40 | US8846657, 3.43 | US8846657, 3.4...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOCC2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.45,;5.16,-4.68,;5.16,-3.14,;3.82,-2.37,;2.49,-3.14,;1.16,-2.37,;1.16,-.83,;2.06,.41,;1.16,1.66,;-.31,1.18,;-1.64,1.95,;-2.98,1.18,;-2.98,-.36,;-1.64,-1.13,;-1.64,-2.67,;-.31,-3.44,;-.31,-4.98,;-1.64,-5.75,;-2.98,-4.98,;-4.31,-5.75,;-2.98,-3.44,;-.31,-.36,;-4.31,1.95,;-5.78,1.48,;-6.68,2.72,;-5.78,3.97,;-6.55,5.3,;-4.31,3.49,;3.6,.41,;4.37,-.92,;5.91,-.92,;6.68,.41,;5.91,1.75,;4.37,1.75,;3.6,3.08,;2.06,3.08,;1.29,4.41,;2.06,5.75,;3.6,5.75,;4.37,4.41,;5.91,4.41,;2.49,-4.68,;3.82,-5.45,)|
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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))
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))
BDBM135165
PNG
(US8846657, 3.57 | US8846657, 3.59 | US8846657, 3.6...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CC(C)OCC2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(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,-2.25,;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))
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))
BDBM135185
PNG
(US8846657, 3.78)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2cnn[nH]2)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))
BDBM135191
PNG
(US8846657, 3.84)
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,(7.09,-4.01,;5.6,-3.61,;4.52,-4.7,;3.03,-4.3,;2.63,-2.81,;1.14,-2.41,;.74,-.93,;1.65,.32,;.74,1.57,;-.72,1.09,;-2.05,1.86,;-3.39,1.09,;-3.39,-.45,;-2.05,-1.22,;-2.05,-2.76,;-.72,-3.53,;-.72,-5.07,;-2.05,-5.84,;-3.39,-5.07,;-4.72,-5.84,;-3.39,-3.53,;-.72,-.45,;-4.72,1.86,;-6.19,1.38,;-7.09,2.63,;-6.19,3.88,;-6.96,5.21,;-4.72,3.4,;3.19,.32,;4.09,-.93,;5.56,-.45,;5.56,1.09,;4.09,1.57,;3.7,3.05,;2.23,3.53,;2.23,5.07,;.9,5.84,;3.7,5.55,;4.6,4.3,;3.72,-1.72,;5.21,-2.12,)|
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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))
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))
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))
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))
BDBM135208
PNG
(US8846657, 3.101)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCCC2c2noc(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))
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))
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))
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))
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))
BDBM135249
PNG
(US8846657, 3.142)
Show SMILES CCO[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:27.30,3.2,wD:30.34,5.5,(8.33,-.9,;6.99,-.13,;5.66,-.9,;4.32,-.13,;4.32,1.41,;2.86,1.88,;2.09,3.21,;2.86,4.55,;1.95,.64,;2.86,-.61,;.41,.64,;-.49,1.88,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-1.95,-3.21,;-1.95,-4.75,;-3.29,-5.52,;-4.62,-4.75,;-5.96,-5.52,;-4.62,-3.21,;-1.95,-.13,;-.49,-.61,;-.09,-2.1,;1.4,-2.5,;2.48,-1.41,;3.97,-1.81,;4.37,-3.29,;5.86,-3.69,;3.28,-4.38,;1.79,-3.98,;-5.96,2.18,;-7.42,1.7,;-8.33,2.95,;-7.42,4.19,;-8.19,5.52,;-5.96,3.72,)|
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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))
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))
BDBM135257
PNG
(US8846657, 3.150)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccn2)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,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;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))
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))
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))
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))
BDBM135284
PNG
(US8846657, 4.1 | US8846657, 4.2)
Show SMILES CC([C@H]1CC[C@H](C)CC1)n1c(nc2cc(nc(-c3cncc(Cl)c3)c12)-c1noc(=O)[nH]1)N1CCO[C@@H]2CCC[C@@H]12 |r,wU:2.1,35.40,wD:5.5,39.43,(.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,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,)|
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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))
BDBM135290
PNG
(US8846657, 4.7)
Show SMILES CO[C@@H]1C[C@@H](CF)N(C1)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C(C)[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,;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,;-1.36,-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
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