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Patent code US10300074

Compile Data Set for Download or QSAR
Found 114 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
XIAP BIR2


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
PDB

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UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391822
PNG
(US10300074, Compd 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H31N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,15,19-21,25-26H,6,11-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,19-,20?,21?/m0/s1
PDB

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US Patent
<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391825
PNG
(US10300074, Compd 20 | US10300074, Compd 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12)C(C)=O
Show InChI InChI=1S/C26H37N5O4/c1-16(27-3)24(33)29-21-12-7-15-30(17(2)32)23-14-13-22(31(23)26(21)35)25(34)28-20-11-6-9-18-8-4-5-10-19(18)20/h4-5,8,10,16,20-23,27H,6-7,9,11-15H2,1-3H3,(H,28,34)(H,29,33)/t16-,20?,21-,22?,23?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391829
PNG
(US10300074, Compd 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391830
PNG
(US10300074, Compd 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391840
PNG
(US10300074, Compd 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391847
PNG
(US10300074, Compd 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C27H36N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-6,8,10,17,20-23,28H,7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391852
PNG
(US10300074, Compd 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)ccc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-15-19-14-20(35)12-13-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-14,17,23-26,31,35H,7,9,11,15-16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391805
PNG
(US10300074, Product 17b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391816
PNG
(US10300074, Compd 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391848
PNG
(US10300074, Compd 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C27H38N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-4,8,10,17,20-23,28H,5-7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391835
PNG
(US10300074, Compd 30 | US10300074, Compd 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C30H35N5O3/c1-17(31-2)28(36)34-24-16-21-20-11-5-6-12-23(20)32-27(21)25-14-15-26(35(25)30(24)38)29(37)33-22-13-7-9-18-8-3-4-10-19(18)22/h3-6,8,10-12,17,22,24-26,31-32H,7,9,13-16H2,1-2H3,(H,33,37)(H,34,36)/t17-,22+,24-,25+,26?/s2
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391849
PNG
(US10300074, Compd 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O5/c1-16(31-4)27(37)33-22-12-18-13-24(35)25(36)14-20(18)23-15-30(2,3)26(34(23)29(22)39)28(38)32-21-11-7-9-17-8-5-6-10-19(17)21/h5-6,8,10,13-14,16,21-23,26,31,35-36H,7,9,11-12,15H2,1-4H3,(H,32,38)(H,33,37)/t16-,21+,22-,23+,26?/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391850
PNG
(US10300074, Compd 45)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-14-19-12-13-20(35)15-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-13,15,17,23-26,31,35H,7,9,11,14,16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391805
PNG
(US10300074, Product 17b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391814
PNG
(US10300074, Compd 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391814
PNG
(US10300074, Compd 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391817
PNG
(US10300074, Compd 13)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19?,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391829
PNG
(US10300074, Compd 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391832
PNG
(US10300074, Compd 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391835
PNG
(US10300074, Compd 30 | US10300074, Compd 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C30H35N5O3/c1-17(31-2)28(36)34-24-16-21-20-11-5-6-12-23(20)32-27(21)25-14-15-26(35(25)30(24)38)29(37)33-22-13-7-9-18-8-3-4-10-19(18)22/h3-6,8,10-12,17,22,24-26,31-32H,7,9,13-16H2,1-2H3,(H,33,37)(H,34,36)/t17-,22+,24-,25+,26?/s2
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391846
PNG
(US10300074, Compd 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H34N4O3S/c1-15(25-2)22(29)27-19-13-14-32-21-12-6-11-20(28(21)24(19)31)23(30)26-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25H,5-6,8,10-14H2,1-2H3,(H,26,30)(H,27,29)/t15-,18+,19-,20?,21-/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391847
PNG
(US10300074, Compd 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C27H36N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-6,8,10,17,20-23,28H,7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391813
PNG
(US10300074, Compd 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C22H30N4O4/c1-13(23-2)20(27)25-17-12-30-19-11-10-18(26(19)22(17)29)21(28)24-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16-19,23H,5,7,9-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,16?,17-,18?,19-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391832
PNG
(US10300074, Compd 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391840
PNG
(US10300074, Compd 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391845
PNG
(US10300074, Compd 40)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C1N2[C@H](CC1(C)C)OCC[C@H](NC(=O)[C@H](C)NC)C2=O
Show InChI InChI=1S/C42H58N8O8S2/c1-23(43-7)35(51)47-27-17-19-57-31-21-41(3,4)33(49(31)39(27)55)37(53)45-25-13-9-11-15-29(25)59-60-30-16-12-10-14-26(30)46-38(54)34-42(5,6)22-32-50(34)40(56)28(18-20-58-32)48-36(52)24(2)44-8/h9-16,23-24,27-28,31-34,43-44H,17-22H2,1-8H3,(H,45,53)(H,46,54)(H,47,51)(H,48,52)/t23-,24-,27-,28-,31-,32-,33?,34?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391847
PNG
(US10300074, Compd 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C27H36N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-6,8,10,17,20-23,28H,7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391849
PNG
(US10300074, Compd 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O5/c1-16(31-4)27(37)33-22-12-18-13-24(35)25(36)14-20(18)23-15-30(2,3)26(34(23)29(22)39)28(38)32-21-11-7-9-17-8-5-6-10-19(17)21/h5-6,8,10,13-14,16,21-23,26,31,35-36H,7,9,11-12,15H2,1-4H3,(H,32,38)(H,33,37)/t16-,21+,22-,23+,26?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391850
PNG
(US10300074, Compd 45)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-14-19-12-13-20(35)15-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-13,15,17,23-26,31,35H,7,9,11,14,16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391852
PNG
(US10300074, Compd 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)ccc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-15-19-14-20(35)12-13-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-14,17,23-26,31,35H,7,9,11,15-16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391805
PNG
(US10300074, Product 17b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391816
PNG
(US10300074, Compd 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391821
PNG
(US10300074, Compd 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H35N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25-26H,5-6,8,10-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,18?,19-,20?,21?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391830
PNG
(US10300074, Compd 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19-,20-/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391840
PNG
(US10300074, Compd 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391842
PNG
(US10300074, Compd 37)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O5S/c1-14(24-2)21(28)26-18-12-13-33(31,32)20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391846
PNG
(US10300074, Compd 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H34N4O3S/c1-15(25-2)22(29)27-19-13-14-32-21-12-6-11-20(28(21)24(19)31)23(30)26-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25H,5-6,8,10-14H2,1-2H3,(H,26,30)(H,27,29)/t15-,18+,19-,20?,21-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391849
PNG
(US10300074, Compd 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O5/c1-16(31-4)27(37)33-22-12-18-13-24(35)25(36)14-20(18)23-15-30(2,3)26(34(23)29(22)39)28(38)32-21-11-7-9-17-8-5-6-10-19(17)21/h5-6,8,10,13-14,16,21-23,26,31,35-36H,7,9,11-12,15H2,1-4H3,(H,32,38)(H,33,37)/t16-,21+,22-,23+,26?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391852
PNG
(US10300074, Compd 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)ccc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-15-19-14-20(35)12-13-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-14,17,23-26,31,35H,7,9,11,15-16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391817
PNG
(US10300074, Compd 13)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19?,20-/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391825
PNG
(US10300074, Compd 20 | US10300074, Compd 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12)C(C)=O
Show InChI InChI=1S/C26H37N5O4/c1-16(27-3)24(33)29-21-12-7-15-30(17(2)32)23-14-13-22(31(23)26(21)35)25(34)28-20-11-6-9-18-8-4-5-10-19(18)20/h4-5,8,10,16,20-23,27H,6-7,9,11-15H2,1-3H3,(H,28,34)(H,29,33)/t16-,20?,21-,22?,23?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391848
PNG
(US10300074, Compd 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C27H38N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-4,8,10,17,20-23,28H,5-7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391822
PNG
(US10300074, Compd 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H31N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,15,19-21,25-26H,6,11-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,19-,20?,21?/m0/s1
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
PDB
MMDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391845
PNG
(US10300074, Compd 40)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C1N2[C@H](CC1(C)C)OCC[C@H](NC(=O)[C@H](C)NC)C2=O
Show InChI InChI=1S/C42H58N8O8S2/c1-23(43-7)35(51)47-27-17-19-57-31-21-41(3,4)33(49(31)39(27)55)37(53)45-25-13-9-11-15-29(25)59-60-30-16-12-10-14-26(30)46-38(54)34-42(5,6)22-32-50(34)40(56)28(18-20-58-32)48-36(52)24(2)44-8/h9-16,23-24,27-28,31-34,43-44H,17-22H2,1-8H3,(H,45,53)(H,46,54)(H,47,51)(H,48,52)/t23-,24-,27-,28-,31-,32-,33?,34?/m0/s1
PDB

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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
BIR3


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
PDB
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<2.50E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391823
PNG
(US10300074, Compd 18 | US10300074, Compd 19)
Show SMILES C[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCCN([C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12)C(C)=O
Show InChI InChI=1S/C28H35N5O5/c1-17(31(4)18(2)34)26(36)30-23-13-8-16-32(19(3)35)25-15-14-24(33(25)28(23)38)27(37)29-22-12-7-10-20-9-5-6-11-21(20)22/h5-7,9-12,17,23-25H,8,13-16H2,1-4H3,(H,29,37)(H,30,36)/t17-,23-,24?,25+/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391809
PNG
(US10300074, Compd 5 | US10300074, Compd 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H26N4O4/c1-12(20-2)17(24)22-14-11-27-16-9-8-15(23(16)19(14)26)18(25)21-10-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,14-,15?,16-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391820
PNG
(US10300074, Compd 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O4/c1-16(27-3)24(31)28-22-17(2)34-21-15-14-20(30(21)26(22)33)25(32)29-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-23,27H,14-15H2,1-3H3,(H,28,31)(H,29,32)/t16-,17+,20?,21-,22-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391807
PNG
(US10300074, Compd 3 | US10300074, Compd 4 | US1030...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391821
PNG
(US10300074, Compd 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H35N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25-26H,5-6,8,10-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,18?,19-,20?,21?/m0/s1
MMDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391812
PNG
(US10300074, Compd 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN4O4/c1-10(20-2)16(24)22-13-9-27-15-8-7-14(23(15)18(13)26)17(25)21-12-5-3-11(19)4-6-12/h3-6,10,13-15,20H,7-9H2,1-2H3,(H,21,25)(H,22,24)/t10-,13-,14?,15-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391815
PNG
(US10300074, Compd 11)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,18-20,24H,11-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,18?,19-,20-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391844
PNG
(US10300074, Compd 39)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17+,19-/m0/s1
PDB

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US Patent
3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391809
PNG
(US10300074, Compd 5 | US10300074, Compd 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H26N4O4/c1-12(20-2)17(24)22-14-11-27-16-9-8-15(23(16)19(14)26)18(25)21-10-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,14-,15?,16-/m0/s1
PDB

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US Patent
3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391833
PNG
(US10300074, Compd 28 | US10300074, Compd 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H33N5O3/c1-14(24-2)21(29)27-18-12-13-25-20-11-10-19(28(20)23(18)31)22(30)26-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24-25H,5,7,9-13H2,1-2H3,(H,26,30)(H,27,29)/t14-,17+,18-,19?,20+/m0/s1
PDB

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US Patent
3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391807
PNG
(US10300074, Compd 3 | US10300074, Compd 4 | US1030...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1
PDB

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US Patent
3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391823
PNG
(US10300074, Compd 18 | US10300074, Compd 19)
Show SMILES C[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCCN([C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12)C(C)=O
Show InChI InChI=1S/C28H35N5O5/c1-17(31(4)18(2)34)26(36)30-23-13-8-16-32(19(3)35)25-15-14-24(33(25)28(23)38)27(37)29-22-12-7-10-20-9-5-6-11-21(20)22/h5-7,9-12,17,23-25H,8,13-16H2,1-4H3,(H,29,37)(H,30,36)/t17-,23-,24?,25+/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391807
PNG
(US10300074, Compd 3 | US10300074, Compd 4 | US1030...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1
PDB

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US Patent
3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391843
PNG
(US10300074, Compd 38)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O5S/c1-14(24-2)21(28)26-18-12-13-33(31,32)20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391835
PNG
(US10300074, Compd 30 | US10300074, Compd 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C30H35N5O3/c1-17(31-2)28(36)34-24-16-21-20-11-5-6-12-23(20)32-27(21)25-14-15-26(35(25)30(24)38)29(37)33-22-13-7-9-18-8-3-4-10-19(18)22/h3-6,8,10-12,17,22,24-26,31-32H,7,9,13-16H2,1-2H3,(H,33,37)(H,34,36)/t17-,22+,24-,25+,26?/s2
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
PDB

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3.75E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391823
PNG
(US10300074, Compd 18 | US10300074, Compd 19)
Show SMILES C[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCCN([C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12)C(C)=O
Show InChI InChI=1S/C28H35N5O5/c1-17(31(4)18(2)34)26(36)30-23-13-8-16-32(19(3)35)25-15-14-24(33(25)28(23)38)27(37)29-22-12-7-10-20-9-5-6-11-21(20)22/h5-7,9-12,17,23-25H,8,13-16H2,1-4H3,(H,29,37)(H,30,36)/t17-,23-,24?,25+/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391832
PNG
(US10300074, Compd 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391844
PNG
(US10300074, Compd 39)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17+,19-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391807
PNG
(US10300074, Compd 3 | US10300074, Compd 4 | US1030...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391807
PNG
(US10300074, Compd 3 | US10300074, Compd 4 | US1030...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391814
PNG
(US10300074, Compd 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1
MMDB

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391823
PNG
(US10300074, Compd 18 | US10300074, Compd 19)
Show SMILES C[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCCN([C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12)C(C)=O
Show InChI InChI=1S/C28H35N5O5/c1-17(31(4)18(2)34)26(36)30-23-13-8-16-32(19(3)35)25-15-14-24(33(25)28(23)38)27(37)29-22-12-7-10-20-9-5-6-11-21(20)22/h5-7,9-12,17,23-25H,8,13-16H2,1-4H3,(H,29,37)(H,30,36)/t17-,23-,24?,25+/m0/s1
MMDB

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391825
PNG
(US10300074, Compd 20 | US10300074, Compd 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12)C(C)=O
Show InChI InChI=1S/C26H37N5O4/c1-16(27-3)24(33)29-21-12-7-15-30(17(2)32)23-14-13-22(31(23)26(21)35)25(34)28-20-11-6-9-18-8-4-5-10-19(18)20/h4-5,8,10,16,20-23,27H,6-7,9,11-15H2,1-3H3,(H,28,34)(H,29,33)/t16-,20?,21-,22?,23?/m0/s1
MMDB

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391842
PNG
(US10300074, Compd 37)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O5S/c1-14(24-2)21(28)26-18-12-13-33(31,32)20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
MMDB

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
MMDB

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391816
PNG
(US10300074, Compd 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391829
PNG
(US10300074, Compd 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391813
PNG
(US10300074, Compd 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C22H30N4O4/c1-13(23-2)20(27)25-17-12-30-19-11-10-18(26(19)22(17)29)21(28)24-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16-19,23H,5,7,9-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,16?,17-,18?,19-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391835
PNG
(US10300074, Compd 30 | US10300074, Compd 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C30H35N5O3/c1-17(31-2)28(36)34-24-16-21-20-11-5-6-12-23(20)32-27(21)25-14-15-26(35(25)30(24)38)29(37)33-22-13-7-9-18-8-3-4-10-19(18)22/h3-6,8,10-12,17,22,24-26,31-32H,7,9,13-16H2,1-2H3,(H,33,37)(H,34,36)/t17-,22+,24-,25+,26?/s2
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391843
PNG
(US10300074, Compd 38)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O5S/c1-14(24-2)21(28)26-18-12-13-33(31,32)20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391833
PNG
(US10300074, Compd 28 | US10300074, Compd 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H33N5O3/c1-14(24-2)21(29)27-18-12-13-25-20-11-10-19(28(20)23(18)31)22(30)26-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24-25H,5,7,9-13H2,1-2H3,(H,26,30)(H,27,29)/t14-,17+,18-,19?,20+/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391833
PNG
(US10300074, Compd 28 | US10300074, Compd 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H33N5O3/c1-14(24-2)21(29)27-18-12-13-25-20-11-10-19(28(20)23(18)31)22(30)26-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24-25H,5,7,9-13H2,1-2H3,(H,26,30)(H,27,29)/t14-,17+,18-,19?,20+/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR2


(Homo sapiens (Human))
BDBM391833
PNG
(US10300074, Compd 28 | US10300074, Compd 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H33N5O3/c1-14(24-2)21(29)27-18-12-13-25-20-11-10-19(28(20)23(18)31)22(30)26-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24-25H,5,7,9-13H2,1-2H3,(H,26,30)(H,27,29)/t14-,17+,18-,19?,20+/m0/s1
PDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391820
PNG
(US10300074, Compd 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O4/c1-16(27-3)24(31)28-22-17(2)34-21-15-14-20(30(21)26(22)33)25(32)29-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-23,27H,14-15H2,1-3H3,(H,28,31)(H,29,32)/t16-,17+,20?,21-,22-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391812
PNG
(US10300074, Compd 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN4O4/c1-10(20-2)16(24)22-13-9-27-15-8-7-14(23(15)18(13)26)17(25)21-12-5-3-11(19)4-6-12/h3-6,10,13-15,20H,7-9H2,1-2H3,(H,21,25)(H,22,24)/t10-,13-,14?,15-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391815
PNG
(US10300074, Compd 11)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,18-20,24H,11-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,18?,19-,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391809
PNG
(US10300074, Compd 5 | US10300074, Compd 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H26N4O4/c1-12(20-2)17(24)22-14-11-27-16-9-8-15(23(16)19(14)26)18(25)21-10-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,14-,15?,16-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391807
PNG
(US10300074, Compd 3 | US10300074, Compd 4 | US1030...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H26N4O5/c1-11(20-2)17(24)22-14-10-28-16-9-8-15(23(16)19(14)26)18(25)21-12-4-6-13(27-3)7-5-12/h4-7,11,14-16,20H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t11-,14-,15?,16-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391825
PNG
(US10300074, Compd 20 | US10300074, Compd 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12)C(C)=O
Show InChI InChI=1S/C26H37N5O4/c1-16(27-3)24(33)29-21-12-7-15-30(17(2)32)23-14-13-22(31(23)26(21)35)25(34)28-20-11-6-9-18-8-4-5-10-19(18)20/h4-5,8,10,16,20-23,27H,6-7,9,11-15H2,1-3H3,(H,28,34)(H,29,33)/t16-,20?,21-,22?,23?/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391809
PNG
(US10300074, Compd 5 | US10300074, Compd 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(N2C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H26N4O4/c1-12(20-2)17(24)22-14-11-27-16-9-8-15(23(16)19(14)26)18(25)21-10-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,14-,15?,16-/m0/s1
MMDB

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>5.00E+4n/an/an/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; SALK INSTITUTE FOR BIOLOGICAL STUDIES

US Patent


Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


US Patent US10300074 (2019)

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