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Found 104 hits Enz. Inhib. hit(s) with Target = 'X-linked inhibitor of apoptosis protein BIR3 domain (XIAP 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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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n/an/a 1n/an/an/an/an/an/a



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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213387
PNG
(US9278978, 22)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cccs1)-c1nc(C)nc2nn(C)c(C)c12
Show InChI InChI=1/C23H23N7OS/c1-13(24-4)23(31)28-19-12-16(11-17(27-19)8-9-18-7-6-10-32-18)21-20-14(2)30(5)29-22(20)26-15(3)25-21/h6-7,10-13,24H,1-5H3,(H,27,28,31)/t13-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213372
PNG
(US9278978, 7)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ncnc2cnn(C)c12
Show InChI InChI=1/C23H21N7O/c1-15(24-2)23(31)29-20-12-17(21-22-19(25-14-26-21)13-27-30(22)3)11-18(28-20)10-9-16-7-5-4-6-8-16/h4-8,11-15,24H,1-3H3,(H,28,29,31)/t15-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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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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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213375
PNG
(US9278978, 10)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ncnc2oc(C)c(C)c12
Show InChI InChI=1/C25H23N5O2/c1-15-17(3)32-25-22(15)23(27-14-28-25)19-12-20(11-10-18-8-6-5-7-9-18)29-21(13-19)30-24(31)16(2)26-4/h5-9,12-14,16,26H,1-4H3,(H,29,30,31)/t16-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213379
PNG
(US9278978, 14)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1c(C)nc(C)c2c1n(C)n(C)c2=O
Show InChI InChI=1/C31H31N7O2/c1-17-25-11-9-21(14-22(25)12-13-33-17)8-10-24-15-23(16-26(35-24)36-30(39)20(4)32-5)27-18(2)34-19(3)28-29(27)37(6)38(7)31(28)40/h9,11-16,20,32H,1-7H3,(H,35,36,39)/t20-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213383
PNG
(US9278978, 18)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1nc(C)nc2nn(C)c(C)c12
Show InChI InChI=1/C29H28N8O/c1-16-24-10-8-20(13-21(24)11-12-31-16)7-9-23-14-22(15-25(34-23)35-29(38)17(2)30-5)27-26-18(3)37(6)36-28(26)33-19(4)32-27/h8,10-15,17,30H,1-6H3,(H,34,35,38)/t17-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213385
PNG
(US9278978, 20)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)ncc2c1)-c1nc(C)nc2nn(C)c(C)c12
Show InChI InChI=1/C27H27N9O/c1-15(28-4)27(37)33-23-13-19(25-24-16(2)35(5)34-26(24)31-17(3)30-25)12-21(32-23)9-7-18-8-10-22-20(11-18)14-29-36(22)6/h8,10-15,28H,1-6H3,(H,32,33,37)/t15-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213371
PNG
(US9278978, 6)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2cnn(C)c12
Show InChI InChI=1/C27H24N8O/c1-16-22-8-6-18(11-19(22)9-10-29-16)5-7-21-12-20(13-24(33-21)34-27(36)17(2)28-3)25-26-23(30-15-31-25)14-32-35(26)4/h6,8-15,17,28H,1-4H3,(H,33,34,36)/t17-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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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n/an/a 50n/an/an/an/an/an/a



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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213405
PNG
(US9278978, 40)
Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)cc(F)c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C24H21F2N7O/c1-13-21-23(33(4)32-13)22(29-12-28-21)16-9-19(6-5-15-7-17(25)11-18(26)8-15)30-20(10-16)31-24(34)14(2)27-3/h7-12,14,27H,1-4H3,(H,30,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213376
PNG
(US9278978, 11)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2nc(C)c(C)n12
Show InChI InChI=1/C30H28N6O/c1-18-21(4)36-27(7-6-8-29(36)33-18)24-16-25(34-28(17-24)35-30(37)20(3)31-5)11-9-22-10-12-26-19(2)32-14-13-23(26)15-22/h6-8,10,12-17,20,31H,1-5H3,(H,34,35,37)/t20-/s2
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n/an/a 57n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213404
PNG
(US9278978, 39)
Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc(C)c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C25H26N8O/c1-14-9-18(10-15(2)29-14)7-8-20-11-19(12-21(30-20)31-25(34)17(4)26-5)23-24-22(27-13-28-23)16(3)32-33(24)6/h9-13,17,26H,1-6H3,(H,30,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213382
PNG
(US9278978, 17)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)ncc2c1)-c1nc(C)nc2c(C)nn(C)c12
Show InChI InChI=1/C27H27N9O/c1-15-24-26(36(6)34-15)25(31-17(3)30-24)19-12-21(32-23(13-19)33-27(37)16(2)28-4)9-7-18-8-10-22-20(11-18)14-29-35(22)5/h8,10-14,16,28H,1-6H3,(H,32,33,37)/t16-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213368
PNG
(US9278978, 3)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc2c(F)cccc12)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C28H25FN8O/c1-15-11-18(21-7-6-8-22(29)26(21)33-15)9-10-20-12-19(13-23(34-20)35-28(38)17(3)30-4)25-27-24(31-14-32-25)16(2)36-37(27)5/h6-8,11-14,17,30H,1-5H3,(H,34,35,38)/t17-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213366
PNG
(US9278978, 1)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)ncc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C26H25N9O/c1-15-23-25(35(5)33-15)24(29-14-28-23)18-11-20(31-22(12-18)32-26(36)16(2)27-3)8-6-17-7-9-21-19(10-17)13-30-34(21)4/h7,9-14,16,27H,1-5H3,(H,31,32,36)/t16-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213407
PNG
(US9278978, 42)
Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)c2ncccc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C27H23FN8O/c1-15-23-26(36(4)35-15)25(32-14-31-23)19-12-20(33-22(13-19)34-27(37)16(2)29-3)8-7-17-10-18-6-5-9-30-24(18)21(28)11-17/h5-6,9-14,16,29H,1-4H3,(H,33,34,37)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
PDB

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n/an/a 78n/an/an/an/an/an/a



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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213370
PNG
(US9278978, 5)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1c(OC)ccc2nc(C)ccc12
Show InChI InChI=1/C28H26N4O2/c1-18-10-13-23-24(30-18)14-15-25(34-4)27(23)21-16-22(12-11-20-8-6-5-7-9-20)31-26(17-21)32-28(33)19(2)29-3/h5-10,13-17,19,29H,1-4H3,(H,31,32,33)/t19-/s2
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213374
PNG
(US9278978, 9)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc(cc1)-n1cnc(C)c1)-c1ncnc2cnn(C)c12
Show InChI InChI=1/C27H25N9O/c1-17-14-36(16-31-17)22-9-6-19(7-10-22)5-8-21-11-20(12-24(33-21)34-27(37)18(2)28-3)25-26-23(29-15-30-25)13-32-35(26)4/h6-7,9-16,18,28H,1-4H3,(H,33,34,37)/t18-/s2
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213369
PNG
(US9278978, 4)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccn2c(C)ncc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C26H25N9O/c1-15-23-25(34(5)33-15)24(30-14-29-23)19-11-20(31-22(12-19)32-26(36)16(2)27-4)7-6-18-8-9-35-17(3)28-13-21(35)10-18/h8-14,16,27H,1-5H3,(H,31,32,36)/t16-/s2
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213392
PNG
(US9278978, 27)
Show SMILES CN[C@H](C)C(=O)Nc1cc(c(OC)c(n1)C#Cc1ccccc1)-c1cccc2ncccc12
Show InChI InChI=1/C27H24N4O2/c1-18(28-2)27(32)31-25-17-22(20-11-7-13-23-21(20)12-8-16-29-23)26(33-3)24(30-25)15-14-19-9-5-4-6-10-19/h4-13,16-18,28H,1-3H3,(H,30,31,32)/t18-/s2
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213401
PNG
(US9278978, 36)
Show SMILES CNC(C)C(=O)Nc1cc(-c2cccnc2)c(-c2cncnc2)c(n1)C#Cc1ccccc1
Show InChI InChI=1/C26H22N6O/c1-18(27-2)26(33)32-24-13-22(20-9-6-12-28-14-20)25(21-15-29-17-30-16-21)23(31-24)11-10-19-7-4-3-5-8-19/h3-9,12-18,27H,1-2H3,(H,31,32,33)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213400
PNG
(US9278978, 35)
Show SMILES CNC(C)C(=O)Nc1cc(-c2ccncc2)c(-c2cncnc2)c(n1)C#Cc1ccccc1
Show InChI InChI=1/C26H22N6O/c1-18(27-2)26(33)32-24-14-22(20-10-12-28-13-11-20)25(21-15-29-17-30-16-21)23(31-24)9-8-19-6-4-3-5-7-19/h3-7,10-18,27H,1-2H3,(H,31,32,33)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213406
PNG
(US9278978, 41)
Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1ccc(cc1)-n1cnc(C)c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C28H27N9O/c1-17-14-37(16-32-17)23-10-7-20(8-11-23)6-9-22-12-21(13-24(33-22)34-28(38)19(3)29-4)26-27-25(30-15-31-26)18(2)35-36(27)5/h7-8,10-16,19,29H,1-5H3,(H,33,34,38)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
PDB

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n/an/a 115n/an/an/an/an/an/a



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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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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n/an/a 120n/an/an/an/an/an/a



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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213367
PNG
(US9278978, 2)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C28H26N8O/c1-16-23-9-7-19(12-20(23)10-11-30-16)6-8-22-13-21(14-24(33-22)34-28(37)18(3)29-4)26-27-25(31-15-32-26)17(2)35-36(27)5/h7,9-15,18,29H,1-5H3,(H,33,34,37)/t18-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213391
PNG
(US9278978, 26)
Show SMILES CN[C@H](C)C(=O)Nc1cc(c(OC)c(n1)C#Cc1ccccc1)-c1cccc2cnn(C)c12
Show InChI InChI=1/C26H25N5O2/c1-17(27-2)26(32)30-23-15-21(20-12-8-11-19-16-28-31(3)24(19)20)25(33-4)22(29-23)14-13-18-9-6-5-7-10-18/h5-12,15-17,27H,1-4H3,(H,29,30,32)/t17-/s2
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213403
PNG
(US9278978, 38)
Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2nc(C)ccc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C28H26N8O/c1-16-6-9-20-12-19(8-11-23(20)32-16)7-10-22-13-21(14-24(33-22)34-28(37)18(3)29-4)26-27-25(30-15-31-26)17(2)35-36(27)5/h6,8-9,11-15,18,29H,1-5H3,(H,33,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213378
PNG
(US9278978, 13)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1cnc2cccc(C)n12
Show InChI InChI=1/C29H26N6O/c1-18-6-5-7-28-32-17-26(35(18)28)23-15-24(33-27(16-23)34-29(36)20(3)30-4)10-8-21-9-11-25-19(2)31-13-12-22(25)14-21/h5-7,9,11-17,20,30H,1-4H3,(H,33,34,36)/t20-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(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)
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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM213381
PNG
(US9278978, 16)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1nc(C)nc2c(C)nn(C)c12
Show InChI InChI=1/C29H28N8O/c1-16-24-10-8-20(13-21(24)11-12-31-16)7-9-23-14-22(15-25(34-23)35-29(38)18(3)30-5)27-28-26(32-19(4)33-27)17(2)36-37(28)6/h8,10-15,18,30H,1-6H3,(H,34,35,38)/t18-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...


US Patent US9278978 (2016)

More data for this
Ligand-Target Pair
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