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Patent code US9682993

Compile Data Set for Download or QSAR
Found 22 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))
BDBM162067
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(=O)N(C)C(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C29H46N2O7/c1-20(9-12-23-15-29(19-36-29)18-28(6,7)38-23)10-14-25-34-16-22(17-35-25)30-24(32)13-11-21(2)37-26(33)31(8)27(3,4)5/h9-13,21-23,25H,14-19H2,1-8H3,(H,30,32)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,29+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162067
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(=O)N(C)C(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C29H46N2O7/c1-20(9-12-23-15-29(19-36-29)18-28(6,7)38-23)10-14-25-34-16-22(17-35-25)30-24(32)13-11-21(2)37-26(33)31(8)27(3,4)5/h9-13,21-23,25H,14-19H2,1-8H3,(H,30,32)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,29+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162062
PNG
(US9682993, Table III)
Show SMILES CCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-7-14-30(6)26(32)36-21(3)10-12-24(31)29-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,7,13-19H2,1-6H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162062
PNG
(US9682993, Table III)
Show SMILES CCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-7-14-30(6)26(32)36-21(3)10-12-24(31)29-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,7,13-19H2,1-6H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162065
PNG
(US9682993, Table III)
Show SMILES CCCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C29H46N2O7/c1-7-8-15-31(6)27(33)37-22(3)11-13-25(32)30-23-17-34-26(35-18-23)14-10-21(2)9-12-24-16-29(20-36-29)19-28(4,5)38-24/h9-13,22-24,26H,7-8,14-20H2,1-6H3,(H,30,32)/b12-9+,13-11-,21-10+/t22-,23-,24+,26+,29+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162065
PNG
(US9682993, Table III)
Show SMILES CCCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C29H46N2O7/c1-7-8-15-31(6)27(33)37-22(3)11-13-25(32)30-23-17-34-26(35-18-23)14-10-21(2)9-12-24-16-29(20-36-29)19-28(4,5)38-24/h9-13,22-24,26H,7-8,14-20H2,1-6H3,(H,30,32)/b12-9+,13-11-,21-10+/t22-,23-,24+,26+,29+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162066
PNG
(US9682993, Table III)
Show SMILES CC(C)N(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-19(2)30(7)26(32)36-21(4)10-12-24(31)29-22-15-33-25(34-16-22)13-9-20(3)8-11-23-14-28(18-35-28)17-27(5,6)37-23/h8-12,19,21-23,25H,13-18H2,1-7H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162066
PNG
(US9682993, Table III)
Show SMILES CC(C)N(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-19(2)30(7)26(32)36-21(4)10-12-24(31)29-22-15-33-25(34-16-22)13-9-20(3)8-11-23-14-28(18-35-28)17-27(5,6)37-23/h8-12,19,21-23,25H,13-18H2,1-7H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162070
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(=O)N(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C26H40N2O7/c1-18(7-10-21-13-26(17-33-26)16-25(3,4)35-21)8-12-23-31-14-20(15-32-23)27-22(29)11-9-19(2)34-24(30)28(5)6/h7-11,19-21,23H,12-17H2,1-6H3,(H,27,29)/b10-7+,11-9-,18-8+/t19-,20-,21+,23+,26+/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162070
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(=O)N(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C26H40N2O7/c1-18(7-10-21-13-26(17-33-26)16-25(3,4)35-21)8-12-23-31-14-20(15-32-23)27-22(29)11-9-19(2)34-24(30)28(5)6/h7-11,19-21,23H,12-17H2,1-6H3,(H,27,29)/b10-7+,11-9-,18-8+/t19-,20-,21+,23+,26+/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162060
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(=O)NC(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-19(8-11-22-14-28(18-35-28)17-27(6,7)37-22)9-13-24-33-15-21(16-34-24)29-23(31)12-10-20(2)36-25(32)30-26(3,4)5/h8-12,20-22,24H,13-18H2,1-7H3,(H,29,31)(H,30,32)/b11-8+,12-10-,19-9+/t20-,21-,22+,24+,28+/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162060
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(=O)NC(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-19(8-11-22-14-28(18-35-28)17-27(6,7)37-22)9-13-24-33-15-21(16-34-24)29-23(31)12-10-20(2)36-25(32)30-26(3,4)5/h8-12,20-22,24H,13-18H2,1-7H3,(H,29,31)(H,30,32)/b11-8+,12-10-,19-9+/t20-,21-,22+,24+,28+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162063
PNG
(US9682993, Table III)
Show SMILES COCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C27H42N2O8/c1-19(6-9-22-14-27(18-35-27)17-26(3,4)37-22)7-11-24-33-15-21(16-34-24)29-23(30)10-8-20(2)36-25(31)28-12-13-32-5/h6-10,20-22,24H,11-18H2,1-5H3,(H,28,31)(H,29,30)/b9-6+,10-8-,19-7+/t20-,21-,22+,24+,27+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162059
PNG
(US9682993, Table III)
Show SMILES CCN(CC)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-7-30(8-2)26(32)36-21(4)11-13-24(31)29-22-16-33-25(34-17-22)14-10-20(3)9-12-23-15-28(19-35-28)18-27(5,6)37-23/h9-13,21-23,25H,7-8,14-19H2,1-6H3,(H,29,31)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,28+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162071
PNG
(US9682993, Table III)
Show SMILES CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C25H38N2O7/c1-17(6-9-20-12-25(16-32-25)15-24(3,4)34-20)7-11-22-30-13-19(14-31-22)27-21(28)10-8-18(2)33-23(29)26-5/h6-10,18-20,22H,11-16H2,1-5H3,(H,26,29)(H,27,28)/b9-6+,10-8-,17-7+/t18-,19-,20+,22+,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162071
PNG
(US9682993, Table III)
Show SMILES CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C25H38N2O7/c1-17(6-9-20-12-25(16-32-25)15-24(3,4)34-20)7-11-22-30-13-19(14-31-22)27-21(28)10-8-18(2)33-23(29)26-5/h6-10,18-20,22H,11-16H2,1-5H3,(H,26,29)(H,27,28)/b9-6+,10-8-,17-7+/t18-,19-,20+,22+,25+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162058
PNG
(US9682993, Table III)
Show SMILES CCCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-6-7-14-29-26(32)36-21(3)10-12-24(31)30-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,6-7,13-19H2,1-5H3,(H,29,32)(H,30,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162058
PNG
(US9682993, Table III)
Show SMILES CCCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-6-7-14-29-26(32)36-21(3)10-12-24(31)30-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,6-7,13-19H2,1-5H3,(H,29,32)(H,30,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162059
PNG
(US9682993, Table III)
Show SMILES CCN(CC)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C28H44N2O7/c1-7-30(8-2)26(32)36-21(4)11-13-24(31)29-22-16-33-25(34-17-22)14-10-20(3)9-12-23-15-28(19-35-28)18-27(5,6)37-23/h9-13,21-23,25H,7-8,14-19H2,1-6H3,(H,29,31)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,28+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162075
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(N)=O)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C24H36N2O7/c1-16(5-8-19-11-24(15-31-24)14-23(3,4)33-19)6-10-21-29-12-18(13-30-21)26-20(27)9-7-17(2)32-22(25)28/h5-9,17-19,21H,10-15H2,1-4H3,(H2,25,28)(H,26,27)/b8-5+,9-7-,16-6+/t17-,18-,19+,21+,24+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162075
PNG
(US9682993, Table III)
Show SMILES C[C@H](OC(N)=O)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C24H36N2O7/c1-16(5-8-19-11-24(15-31-24)14-23(3,4)33-19)6-10-21-29-12-18(13-30-21)26-20(27)9-7-17(2)32-22(25)28/h5-9,17-19,21H,10-15H2,1-4H3,(H2,25,28)(H,26,27)/b8-5+,9-7-,16-6+/t17-,18-,19+,21+,24+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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


(Homo sapiens (human))
BDBM162063
PNG
(US9682993, Table III)
Show SMILES COCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
Show InChI InChI=1S/C27H42N2O8/c1-19(6-9-22-14-27(18-35-27)17-26(3,4)37-22)7-11-24-33-15-21(16-34-24)29-23(30)10-8-20(2)36-25(31)28-12-13-32-5/h6-10,20-22,24H,11-18H2,1-5H3,(H,28,31)(H,29,30)/b9-6+,10-8-,19-7+/t20-,21-,22+,24+,27+/m0/s1
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St. Jude Children's Research Hospital

US Patent


Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000...


US Patent US9682993 (2017)

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