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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with Target = 'Cellular inhibitor of apoptosis protein BIR3 domain (cIAP1 BIR-3)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205375
PNG
(US9249151, 21 | US9249151, 60)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)nn(C)c12
Show InChI InChI=1/C23H24ClN9O2/c1-11-19-21(33(5)32-11)20(28-13(3)27-19)14-8-17(30-22(34)12(2)25-4)29-18(9-14)31-23(35)16-7-6-15(24)10-26-16/h6-10,12,25H,1-5H3,(H2,29,30,31,34,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205376
PNG
(US9249151, 22)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2cccc(Cl)c12
Show InChI InChI=1/C23H19Cl2N7O2/c1-12(26-2)22(33)31-18-8-13(21-20-15(25)4-3-5-16(20)28-11-29-21)9-19(30-18)32-23(34)17-7-6-14(24)10-27-17/h3-12,26H,1-2H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205415
PNG
(US9249151, 61)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc(Cl)cc2C)n1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C23H24ClN9O2/c1-11-6-15(24)9-26-18(11)23(35)31-17-8-14(7-16(29-17)30-22(34)13(3)25-4)20-21-19(27-10-28-20)12(2)32-33(21)5/h6-10,13,25H,1-5H3,(H2,29,30,31,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205413
PNG
(US9249151, 59)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)c(C)n(C)c12
Show InChI InChI=1/C25H27ClN8O2/c1-12-14(3)34(6)23-21(12)29-15(4)30-22(23)16-9-19(32-24(35)13(2)27-5)31-20(10-16)33-25(36)18-8-7-17(26)11-28-18/h7-11,13,27H,1-6H3,(H2,31,32,33,35,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205407
PNG
(US9249151, 53)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2cncc(C)c12
Show InChI InChI=1/C25H23ClN6O2/c1-14-11-28-12-16-5-4-6-19(23(14)16)17-9-21(31-24(33)15(2)27-3)30-22(10-17)32-25(34)20-8-7-18(26)13-29-20/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205406
PNG
(US9249151, 52)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cncc2ccn(C)c12
Show InChI InChI=1/C23H22ClN7O2/c1-13(25-2)22(32)29-19-8-15(17-12-26-10-14-6-7-31(3)21(14)17)9-20(28-19)30-23(33)18-5-4-16(24)11-27-18/h4-13,25H,1-3H3,(H2,28,29,30,32,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205405
PNG
(US9249151, 51)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(OC)cn2)n1)-c1cccc2nc(C)c(C)n12
Show InChI InChI=1/C25H27N7O3/c1-14-16(3)32-20(7-6-8-23(32)28-14)17-11-21(30-24(33)15(2)26-4)29-22(12-17)31-25(34)19-10-9-18(35-5)13-27-19/h6-13,15,26H,1-5H3,(H2,29,30,31,33,34)
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US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205362
PNG
(US9249151, 8 | US9249151, 9)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2cccc(C)c12
Show InChI InChI=1/C25H23ClN6O2/c1-14-5-4-6-16-9-10-28-23(22(14)16)17-11-20(31-24(33)15(2)27-3)30-21(12-17)32-25(34)19-8-7-18(26)13-29-19/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34)
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US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205362
PNG
(US9249151, 8 | US9249151, 9)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2cccc(C)c12
Show InChI InChI=1/C25H23ClN6O2/c1-14-5-4-6-16-9-10-28-23(22(14)16)17-11-20(31-24(33)15(2)27-3)30-21(12-17)32-25(34)19-8-7-18(26)13-29-19/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205402
PNG
(US9249151, 48)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1cccc2nc(C)c(C)n12
Show InChI InChI=1/C26H27N7O3/c1-14-16(3)33-21(6-5-7-24(33)29-14)17-9-22(31-25(34)15(2)27-4)30-23(10-17)32-26(35)20-8-18-12-36-13-19(18)11-28-20/h5-11,15,27H,12-13H2,1-4H3,(H2,30,31,32,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205365
PNG
(US9249151, 11)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2nc(C)c(C)n12
Show InChI InChI=1/C24H24ClN7O2/c1-13-15(3)32-19(6-5-7-22(32)28-13)16-10-20(30-23(33)14(2)26-4)29-21(11-16)31-24(34)18-9-8-17(25)12-27-18/h5-12,14,26H,1-4H3,(H2,29,30,31,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205380
PNG
(US9249151, 26)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc(C)c2c1n(C)n(C)c2=O
Show InChI InChI=1/C25H27ClN8O3/c1-12-20(22-21(13(2)29-12)25(37)34(6)33(22)5)15-9-18(31-23(35)14(3)27-4)30-19(10-15)32-24(36)17-8-7-16(26)11-28-17/h7-11,14,27H,1-6H3,(H2,30,31,32,35,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205355
PNG
(US9249151, 1)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C22H22ClN9O2/c1-11-18-20(32(4)31-11)19(27-10-26-18)13-7-16(29-21(33)12(2)24-3)28-17(8-13)30-22(34)15-6-5-14(23)9-25-15/h5-10,12,24H,1-4H3,(H2,28,29,30,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205368
PNG
(US9249151, 14)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2cccc(F)c12
Show InChI InChI=1/C23H19ClFN7O2/c1-12(26-2)22(33)31-18-8-13(21-20-15(25)4-3-5-16(20)28-11-29-21)9-19(30-18)32-23(34)17-7-6-14(24)10-27-17/h3-12,26H,1-2H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205369
PNG
(US9249151, 15)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2oc(C)c(C)c12
Show InChI InChI=1/C23H22ClN7O3/c1-11-13(3)34-23-19(11)20(27-10-28-23)14-7-17(30-21(32)12(2)25-4)29-18(8-14)31-22(33)16-6-5-15(24)9-26-16/h5-10,12,25H,1-4H3,(H2,29,30,31,32,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205370
PNG
(US9249151, 16)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2nc(C)n(C)c12
Show InChI InChI=1/C22H22ClN9O2/c1-11(24-3)21(33)30-16-7-13(18-19-20(27-10-26-18)28-12(2)32(19)4)8-17(29-16)31-22(34)15-6-5-14(23)9-25-15/h5-11,24H,1-4H3,(H2,29,30,31,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205378
PNG
(US9249151, 24)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccc(C)c12
Show InChI InChI=1/C26H25ClN6O3/c1-14-9-10-29-18-7-8-20(36-4)24(23(14)18)16-11-21(32-25(34)15(2)28-3)31-22(12-16)33-26(35)19-6-5-17(27)13-30-19/h5-13,15,28H,1-4H3,(H2,31,32,33,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205372
PNG
(US9249151, 18)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cnc2cccc(Cl)n12
Show InChI InChI=1/C22H19Cl2N7O2/c1-12(25-2)21(32)29-18-8-13(16-11-27-20-5-3-4-17(24)31(16)20)9-19(28-18)30-22(33)15-7-6-14(23)10-26-15/h3-12,25H,1-2H3,(H2,28,29,30,32,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205416
PNG
(US9249151, 62)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc(Cl)cc2F)n1)-c1nc(C)nc2c(C)nn(C)c12
Show InChI InChI=1/C23H23ClFN9O2/c1-10-18-21(34(5)33-10)19(29-12(3)28-18)13-6-16(31-22(35)11(2)26-4)30-17(7-13)32-23(36)20-15(25)8-14(24)9-27-20/h6-9,11,26H,1-5H3,(H2,30,31,32,35,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205367
PNG
(US9249151, 13)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2n(C)nc(C)c12
Show InChI InChI=1/C24H24ClN7O2/c1-13-22-17(6-5-7-19(22)32(4)31-13)15-10-20(29-23(33)14(2)26-3)28-21(11-15)30-24(34)18-9-8-16(25)12-27-18/h5-12,14,26H,1-4H3,(H2,28,29,30,33,34)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205356
PNG
(US9249151, 2)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C24H25N9O3/c1-12-20-22(33(4)32-12)21(28-11-27-20)14-6-18(30-23(34)13(2)25-3)29-19(7-14)31-24(35)17-5-15-9-36-10-16(15)8-26-17/h5-8,11,13,25H,9-10H2,1-4H3,(H2,29,30,31,34,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205361
PNG
(US9249151, 7)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2cnn(C)c12
Show InChI InChI=1/C23H22ClN7O2/c1-13(25-2)22(32)29-19-9-15(17-6-4-5-14-11-27-31(3)21(14)17)10-20(28-19)30-23(33)18-8-7-16(24)12-26-18/h4-13,25H,1-3H3,(H2,28,29,30,32,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205357
PNG
(US9249151, 3)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)noc1C
Show InChI InChI=1/C20H21ClN6O3/c1-10-18(12(3)30-27-10)13-7-16(25-19(28)11(2)22-4)24-17(8-13)26-20(29)15-6-5-14(21)9-23-15/h5-9,11,22H,1-4H3,(H2,24,25,26,28,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205366
PNG
(US9249151, 12)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2nn(C)c(C)c12
Show InChI InChI=1/C24H24ClN7O2/c1-13(26-3)23(33)29-20-10-15(17-6-5-7-18-22(17)14(2)32(4)31-18)11-21(28-20)30-24(34)19-9-8-16(25)12-27-19/h5-13,26H,1-4H3,(H2,28,29,30,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205412
PNG
(US9249151, 58)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2c1n(C)n(C)c2=O
Show InChI InChI=1/C23H23ClN8O3/c1-12(25-2)21(33)29-17-9-13(19-20-15(7-8-26-19)23(35)32(4)31(20)3)10-18(28-17)30-22(34)16-6-5-14(24)11-27-16/h5-12,25H,1-4H3,(H2,28,29,30,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205359
PNG
(US9249151, 5)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)ncnc1C
Show InChI InChI=1/C21H22ClN7O2/c1-11-19(12(2)26-10-25-11)14-7-17(28-20(30)13(3)23-4)27-18(8-14)29-21(31)16-6-5-15(22)9-24-16/h5-10,13,23H,1-4H3,(H2,27,28,29,30,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205364
PNG
(US9249151, 10)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc2cccc(C)n12
Show InChI InChI=1/C24H24ClN7O2/c1-13-6-5-7-21-28-14(2)22(32(13)21)16-10-19(30-23(33)15(3)26-4)29-20(11-16)31-24(34)18-9-8-17(25)12-27-18/h5-12,15,26H,1-4H3,(H2,29,30,31,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205377
PNG
(US9249151, 23 | US9249151, 25)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccnc2cc(F)cc(F)c12
Show InChI InChI=1/C24H19ClF2N6O2/c1-12(28-2)23(34)32-20-7-13(16-5-6-29-19-10-15(26)9-17(27)22(16)19)8-21(31-20)33-24(35)18-4-3-14(25)11-30-18/h3-12,28H,1-2H3,(H2,31,32,33,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205360
PNG
(US9249151, 6)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc2ccccn12
Show InChI InChI=1/C23H22ClN7O2/c1-13-21(31-9-5-4-6-20(31)27-13)15-10-18(29-22(32)14(2)25-3)28-19(11-15)30-23(33)17-8-7-16(24)12-26-17/h4-12,14,25H,1-3H3,(H2,28,29,30,32,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205408
PNG
(US9249151, 54)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(Cl)cnc2ccccc12
Show InChI InChI=1/C24H20Cl2N6O2/c1-13(27-2)23(33)31-20-9-14(22-16-5-3-4-6-18(16)29-12-17(22)26)10-21(30-20)32-24(34)19-8-7-15(25)11-28-19/h3-13,27H,1-2H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205401
PNG
(US9249151, 47)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccncc1C
Show InChI InChI=1/C21H21ClN6O2/c1-12-10-24-7-6-16(12)14-8-18(27-20(29)13(2)23-3)26-19(9-14)28-21(30)17-5-4-15(22)11-25-17/h4-11,13,23H,1-3H3,(H2,26,27,28,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205381
PNG
(US9249151, 27)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(Cl)c(C)nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1/C25H20Cl4N6O2/c1-11-23(29)21(22-16(28)8-15(27)9-18(22)32-11)13-6-19(34-24(36)12(2)30-3)33-20(7-13)35-25(37)17-5-4-14(26)10-31-17/h4-10,12,30H,1-3H3,(H2,33,34,35,36,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205358
PNG
(US9249151, 4)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccncc1C#N
Show InChI InChI=1/C21H18ClN7O2/c1-12(24-2)20(30)28-18-7-13(16-5-6-25-10-14(16)9-23)8-19(27-18)29-21(31)17-4-3-15(22)11-26-17/h3-8,10-12,24H,1-2H3,(H2,27,28,29,30,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205383
PNG
(US9249151, 29)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(C)cn2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C26H26N6O2/c1-15-7-9-21(29-14-15)26(34)32-23-13-18(12-22(30-23)31-25(33)17(3)27-4)24-16(2)8-10-20-19(24)6-5-11-28-20/h5-14,17,27H,1-4H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205382
PNG
(US9249151, 28)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C27H26N6O3/c1-15-6-7-21-20(5-4-8-29-21)25(15)17-10-23(32-26(34)16(2)28-3)31-24(11-17)33-27(35)22-9-18-13-36-14-19(18)12-30-22/h4-12,16,28H,13-14H2,1-3H3,(H2,31,32,33,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205375
PNG
(US9249151, 21 | US9249151, 60)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)nn(C)c12
Show InChI InChI=1/C23H24ClN9O2/c1-11-19-21(33(5)32-11)20(28-13(3)27-19)14-8-17(30-22(34)12(2)25-4)29-18(9-14)31-23(35)16-7-6-15(24)10-26-16/h6-10,12,25H,1-5H3,(H2,29,30,31,34,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205384
PNG
(US9249151, 30)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(cn2)C#N)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C26H23N7O2/c1-15-6-8-20-19(5-4-10-29-20)24(15)18-11-22(32-25(34)16(2)28-3)31-23(12-18)33-26(35)21-9-7-17(13-27)14-30-21/h4-12,14,16,28H,1-3H3,(H2,31,32,33,34,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205409
PNG
(US9249151, 55)
Show SMILES CC(N)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-n1ccc2cccc(C)c12
Show InChI InChI=1/C23H21ClN6O2/c1-13-4-3-5-15-8-9-30(21(13)15)17-10-19(28-22(31)14(2)25)27-20(11-17)29-23(32)18-7-6-16(24)12-26-18/h3-12,14H,25H2,1-2H3,(H2,27,28,29,31,32)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205377
PNG
(US9249151, 23 | US9249151, 25)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccnc2cc(F)cc(F)c12
Show InChI InChI=1/C24H19ClF2N6O2/c1-12(28-2)23(34)32-20-7-13(16-5-6-29-19-10-15(26)9-17(27)22(16)19)8-21(31-20)33-24(35)18-4-3-14(25)11-30-18/h3-12,28H,1-2H3,(H2,31,32,33,34,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205374
PNG
(US9249151, 20)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccnc12
Show InChI InChI=1/C24H22ClN7O3/c1-13(26-2)23(33)31-19-10-14(21-18(35-3)7-6-16-22(21)28-9-8-27-16)11-20(30-19)32-24(34)17-5-4-15(25)12-29-17/h4-13,26H,1-3H3,(H2,30,31,32,33,34)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205385
PNG
(US9249151, 31)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc3ccccc3n2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C28H25N7O2/c1-16-10-11-22-20(8-6-12-30-22)25(16)19-13-23(34-27(36)17(2)29-3)33-24(14-19)35-28(37)26-31-15-18-7-4-5-9-21(18)32-26/h4-15,17,29H,1-3H3,(H2,33,34,35,36,37)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205386
PNG
(US9249151, 32)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(F)cn2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C25H23FN6O2/c1-14-6-8-19-18(5-4-10-28-19)23(14)16-11-21(31-24(33)15(2)27-3)30-22(12-16)32-25(34)20-9-7-17(26)13-29-20/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205417
PNG
(US9249151, 63)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(OC)nc2c(C)nn(C)c12
Show InChI InChI=1/C23H24ClN9O3/c1-11-18-20(33(4)32-11)19(31-23(30-18)36-5)13-8-16(28-21(34)12(2)25-3)27-17(9-13)29-22(35)15-7-6-14(24)10-26-15/h6-10,12,25H,1-5H3,(H2,27,28,29,34,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205387
PNG
(US9249151, 33)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(OC)cn2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C26H26N6O3/c1-15-7-9-20-19(6-5-11-28-20)24(15)17-12-22(31-25(33)16(2)27-3)30-23(13-17)32-26(34)21-10-8-18(35-4)14-29-21/h5-14,16,27H,1-4H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205371
PNG
(US9249151, 17)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccccn2)n1)-c1nn(C)c2ncnc(N)c12
Show InChI InChI=1/C21H22N10O2/c1-11(23-2)20(32)28-14-8-12(17-16-18(22)25-10-26-19(16)31(3)30-17)9-15(27-14)29-21(33)13-6-4-5-7-24-13/h4-11,23H,1-3H3,(H2,22,25,26)(H2,27,28,29,32,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205388
PNG
(US9249151, 34)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cnc(C)cn2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C25H25N7O2/c1-14-7-8-19-18(6-5-9-27-19)23(14)17-10-21(31-24(33)16(3)26-4)30-22(11-17)32-25(34)20-13-28-15(2)12-29-20/h5-13,16,26H,1-4H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205389
PNG
(US9249151, 35)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3ccccc3cn2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C29H26N6O2/c1-17-10-11-23-22(9-6-12-31-23)27(17)21-14-25(34-28(36)18(2)30-3)33-26(15-21)35-29(37)24-13-19-7-4-5-8-20(19)16-32-24/h4-16,18,30H,1-3H3,(H2,33,34,35,36,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205390
PNG
(US9249151, 36)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc3ccccc3n2)n1)-c1c(C)ccc2ncccc12
Show InChI InChI=1/C29H26N6O2/c1-17-10-12-23-21(8-6-14-31-23)27(17)20-15-25(34-28(36)18(2)30-3)33-26(16-20)35-29(37)24-13-11-19-7-4-5-9-22(19)32-24/h4-16,18,30H,1-3H3,(H2,33,34,35,36,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205373
PNG
(US9249151, 19)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2ccccc12
Show InChI InChI=1/C26H24ClN5O3/c1-15(28-2)25(33)31-22-12-17(24-19-7-5-4-6-16(19)8-11-21(24)35-3)13-23(30-22)32-26(34)20-10-9-18(27)14-29-20/h4-15,28H,1-3H3,(H2,30,31,32,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
Inhibitor of apoptosis protein 1 (IAP1)


(Homo sapiens (Human))
BDBM205404
PNG
(US9249151, 50)
Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3ccccc3[nH]2)n1)-c1cccc2nc(C)c(C)n12
Show InChI InChI=1/C27H27N7O2/c1-15-17(3)34-22(10-7-11-25(34)29-15)19-13-23(32-26(35)16(2)28-4)31-24(14-19)33-27(36)21-12-18-8-5-6-9-20(18)30-21/h5-14,16,28,30H,1-4H3,(H2,31,32,33,35,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...


US Patent US9249151 (2016)

More data for this
Ligand-Target Pair
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