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Patent code US9758495

Compile Data Set for Download or QSAR
Found 7 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))
BDBM339934
PNG
(US9758495, 7)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C33H35Cl2FN2O6S/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-28(20-11-13-25(35)26(36)15-20)29(21-6-5-7-23(34)14-21)44-33(4,31(38)41)16-24-12-10-22(17-37-24)30(39)40/h5-7,10-15,17,19,27-29H,8-9,16,18H2,1-4H3,(H,39,40)/t27-,28-,29-,33-/m1/s1
PDB

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US Patent
n/an/a<0.100n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50008819
PNG
(CHEMBL3236665 | US9758495, 1)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33+/m1/s1
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US Patent
n/an/a<0.100n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM339933
PNG
(6-(((2R,5R,6R)-4-((S)-2-(tert-Butylsulfonyl)-1-cyc...)
Show SMILES COC(=O)c1ccc(C[C@]2(C)O[C@@H](C(N([C@H](CSC(C)(C)C)C3CC3)C2=O)c2ccc(Cl)c(F)c2)c2cccc(Cl)c2)nc1
Show InChI InChI=1S/C34H37Cl2FN2O4S/c1-33(2,3)44-19-28(20-9-10-20)39-29(21-12-14-26(36)27(37)16-21)30(22-7-6-8-24(35)15-22)43-34(4,32(39)41)17-25-13-11-23(18-38-25)31(40)42-5/h6-8,11-16,18,20,28-30H,9-10,17,19H2,1-5H3/t28-,29?,30-,34+/m1/s1
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US Patent
n/an/a 0.110n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM339932
PNG
(US9758495, 5)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C31H33Cl2FN2O6S2/c1-30(2,3)44(40,41)16-23(17-8-9-17)36-26(18-10-11-21(33)22(34)13-18)27(19-6-5-7-20(32)12-19)42-31(4,29(36)39)14-25-35-15-24(43-25)28(37)38/h5-7,10-13,15,17,23,26-27H,8-9,14,16H2,1-4H3,(H,37,38)/t23-,26-,27-,31-/m1/s1
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n/an/a 0.121n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50008818
PNG
(CHEMBL3233049 | US9758495, 2)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1
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US Patent
n/an/a 0.140n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM339930
PNG
(US9758495, 3)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@@](C)(Cc2ccc(c[n+]2[O-])C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H36Cl2N2O7S/c1-32(2,3)45(42,43)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)44-33(4,31(37)40)17-26-15-12-23(30(38)39)18-36(26)41/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33+/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM339931
PNG
(US9758495, 4)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@](C)(Cc2ccc(c[n+]2[O-])C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H36Cl2N2O7S/c1-32(2,3)45(42,43)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)44-33(4,31(37)40)17-26-15-12-23(30(38)39)18-36(26)41/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1
PDB

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n/an/a 1.85n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9758495 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%