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Found 58 hits Enz. Inhib. hit(s) with Target = 'Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)'   
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
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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n/an/a 1n/an/an/an/an/a25



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...


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More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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)
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n/an/a 1n/an/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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n/an/a 1n/an/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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)
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Boehringer Ingelheim International GmbH

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254004
PNG
(US9481673, (S)-14)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1
Show InChI InChI=1/C35H31N7O3/c1-21-16-17-42-30(18-21)40-33(25-8-14-31(45-5)37-20-25)34(42)26-10-13-29(39-35(44)22(2)36-3)38-27(26)11-6-23-7-12-28-24(19-23)9-15-32(43)41(28)4/h7-10,12-20,22,36H,1-5H3,(H,38,39,44)/t22-/s2
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Boehringer ingelheim International GmbH

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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% Triton X100) for on...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213373
PNG
(US9278978, 8)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1ncnc2cnn(C)c12
Show InChI InChI=1/C27H24N8O2/c1-16(28-2)27(37)33-23-13-19(25-26-21(29-15-30-25)14-31-35(26)4)12-20(32-23)8-5-17-6-9-22-18(11-17)7-10-24(36)34(22)3/h6-7,9-16,28H,1-4H3,(H,32,33,37)/t16-/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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Boehringer Ingelheim International GmbH

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254003
PNG
(US9481673, (S)-13)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1
Show InChI InChI=1/C35H31N7O3/c1-21-15-17-42-30(18-21)40-33(25-14-16-37-31(20-25)45-5)34(42)26-9-12-29(39-35(44)22(2)36-3)38-27(26)10-6-23-7-11-28-24(19-23)8-13-32(43)41(28)4/h7-9,11-20,22,36H,1-5H3,(H,38,39,44)/t22-/s2
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Boehringer ingelheim International GmbH

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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% Triton X100) for on...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213380
PNG
(US9278978, 15)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1nc(C)nc2c(C)nn(C)c12
Show InChI InChI=1/C29H28N8O2/c1-16-26-28(37(6)35-16)27(32-18(3)31-26)21-14-22(33-24(15-21)34-29(39)17(2)30-4)10-7-19-8-11-23-20(13-19)9-12-25(38)36(23)5/h8-9,11-15,17,30H,1-6H3,(H,33,34,39)/t17-/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213386
PNG
(US9278978, 21)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cnc(nc1)-n1cnc(C)c1)-c1nc(C)nc2nn(C)c(C)c12
Show InChI InChI=1/C27H27N11O/c1-15-13-38(14-31-15)27-29-11-19(12-30-27)7-8-21-9-20(10-22(34-21)35-26(39)16(2)28-5)24-23-17(3)37(6)36-25(23)33-18(4)32-24/h9-14,16,28H,1-6H3,(H,34,35,39)/t16-/s2
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254001
PNG
(US9481673, (S)-11)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1
Show InChI InChI=1/C31H28N6O/c1-20-15-17-37-28(18-20)36-29(24-14-16-33-21(2)19-24)30(37)25-11-13-27(35-31(38)22(3)32-4)34-26(25)12-10-23-8-6-5-7-9-23/h5-9,11,13-19,22,32H,1-4H3,(H,34,35,38)/t22-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254000
PNG
(US9481673, (S)-10)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1
Show InChI InChI=1/C35H31N7O3/c1-21-16-18-42-30(19-21)40-32(26-7-6-17-37-35(26)45-5)33(42)25-11-14-29(39-34(44)22(2)36-3)38-27(25)12-8-23-9-13-28-24(20-23)10-15-31(43)41(28)4/h6-7,9-11,13-20,22,36H,1-5H3,(H,38,39,44)/t22-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253999
PNG
(US9481673, (S)-9)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C35H31N7O2/c1-21-15-17-42-31(18-21)41-33(26-8-13-32(44-5)38-20-26)34(42)28-10-12-30(40-35(43)23(3)36-4)39-29(28)11-7-24-6-9-27-22(2)37-16-14-25(27)19-24/h6,8-10,12-20,23,36H,1-5H3,(H,39,40,43)/t23-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253998
PNG
(US9481673, (S)-8)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C35H31N7O2/c1-21-14-17-42-31(18-21)41-33(26-13-16-38-32(20-26)44-5)34(42)28-9-11-30(40-35(43)23(3)36-4)39-29(28)10-7-24-6-8-27-22(2)37-15-12-25(27)19-24/h6,8-9,11-20,23,36H,1-5H3,(H,39,40,43)/t23-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253997
PNG
(US9481673, (S)-7)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C34H30N8O/c1-20-13-15-42-31(16-20)41-32(26-18-37-23(4)38-19-26)33(42)28-9-11-30(40-34(43)22(3)35-5)39-29(28)10-7-24-6-8-27-21(2)36-14-12-25(27)17-24/h6,8-9,11-19,22,35H,1-5H3,(H,39,40,43)/t22-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253996
PNG
(US9481673, (S)-6)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C35H31N7O/c1-21-15-17-42-32(18-21)41-33(27-9-6-22(2)38-20-27)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-8-25-7-10-28-23(3)37-16-14-26(28)19-25/h6-7,9-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/s2
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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253994
PNG
(US9481673, (S)-4)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cncn2C)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C33H30N8O/c1-20-13-15-41-30(16-20)39-31(28-18-35-19-40(28)5)32(41)26-9-11-29(38-33(42)22(3)34-4)37-27(26)10-7-23-6-8-25-21(2)36-14-12-24(25)17-23/h6,8-9,11-19,22,34H,1-5H3,(H,37,38,42)/t22-/s2
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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253993
PNG
(US9481673, (S)-3)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnn(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C33H30N8O/c1-20-13-15-41-30(16-20)39-31(25-18-36-40(5)19-25)32(41)27-9-11-29(38-33(42)22(3)34-4)37-28(27)10-7-23-6-8-26-21(2)35-14-12-24(26)17-23/h6,8-9,11-19,22,34H,1-5H3,(H,37,38,42)/t22-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253992
PNG
(US9481673, (S)-2)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C35H31N7O/c1-21-14-17-42-32(18-21)41-33(27-13-15-37-22(2)19-27)34(42)29-9-11-31(40-35(43)24(4)36-5)39-30(29)10-7-25-6-8-28-23(3)38-16-12-26(28)20-25/h6,8-9,11-20,24,36H,1-5H3,(H,39,40,43)/t24-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253991
PNG
(US9481673, (S)-1)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C35H31N7O2/c1-21-15-18-42-31(19-21)41-32(28-7-6-16-38-35(28)44-5)33(42)27-11-13-30(40-34(43)23(3)36-4)39-29(27)12-9-24-8-10-26-22(2)37-17-14-25(26)20-24/h6-8,10-11,13-20,23,36H,1-5H3,(H,39,40,43)/t23-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213408
PNG
(US9278978, 43)
Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cnc2n(C)ncc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C25H24N10O/c1-14-21-23(34(4)33-14)22(29-13-28-21)17-9-19(31-20(10-17)32-25(36)15(2)26-3)7-6-16-8-18-12-30-35(5)24(18)27-11-16/h8-13,15,26H,1-5H3,(H,31,32,36)
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213384
PNG
(US9278978, 19)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1nc(C)nc2nn(C)c(C)c12
Show InChI InChI=1/C29H28N8O2/c1-16(30-4)29(39)34-24-15-21(27-26-17(2)37(6)35-28(26)32-18(3)31-27)14-22(33-24)10-7-19-8-11-23-20(13-19)9-12-25(38)36(23)5/h8-9,11-16,30H,1-6H3,(H,33,34,39)/t16-/s2
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254005
PNG
(US9481673, (S)-15)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(Cl)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C34H28ClN7O2/c1-20-25-9-7-22(18-23(25)13-16-37-20)8-11-28-26(10-12-29(39-28)40-33(43)21(2)36-3)32-31(27-6-5-15-38-34(27)44-4)41-30-19-24(35)14-17-42(30)32/h5-7,9-10,12-19,21,36H,1-4H3,(H,39,40,43)/t21-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254006
PNG
(US9481673, (S)-16)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM254002
PNG
(US9481673, (S)-12)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1
Show InChI InChI=1/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/s2
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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% Triton X100) for on...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM253995
PNG
(US9481673, (S)-5)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/s2
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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% Triton X100) for on...


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More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213402
PNG
(US9278978, 37)
Show SMILES CCNC(CC)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2c(C)nn(C)c12
Show InChI InChI=1/C30H30N8O/c1-6-25(31-7-2)30(39)36-26-16-22(28-29-27(33-17-34-28)19(4)37-38(29)5)15-23(35-26)10-8-20-9-11-24-18(3)32-13-12-21(24)14-20/h9,11-17,25,31H,6-7H2,1-5H3,(H,35,36,39)
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213390
PNG
(US9278978, 25)
Show SMILES CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1cccc2cnn(C)c12
Show InChI InChI=1/C29H25ClN6O2/c1-17(31-2)29(38)34-25-15-22(21-7-5-6-20-16-32-36(4)28(20)21)27(30)23(33-25)11-8-18-9-12-24-19(14-18)10-13-26(37)35(24)3/h5-7,9-10,12-17,31H,1-4H3,(H,33,34,38)/t17-/s2
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213377
PNG
(US9278978, 12)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2N(C)C(=O)Cc2c1)-c1cccc2cnn(C)c12
Show InChI InChI=1/C28H26N6O2/c1-17(29-2)28(36)32-25-14-20(23-7-5-6-19-16-30-34(4)27(19)23)13-22(31-25)10-8-18-9-11-24-21(12-18)15-26(35)33(24)3/h5-7,9,11-14,16-17,29H,15H2,1-4H3,(H,31,32,36)/t17-/s2
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213389
PNG
(US9278978, 24)
Show SMILES CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2cnn(C)c12
Show InChI InChI=1/C29H25ClN6O/c1-17-22-10-8-19(14-20(22)12-13-32-17)9-11-25-27(30)24(15-26(34-25)35-29(37)18(2)31-3)23-7-5-6-21-16-33-36(4)28(21)23/h5-8,10,12-16,18,31H,1-4H3,(H,34,35,37)/t18-/s2
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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
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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...


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More data for this
Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(Homo sapiens (Human))
BDBM213394
PNG
(US9278978, 29)
Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1cncc(F)c1
Show InChI InChI=1/C22H19FN4O/c1-15(24-2)22(28)27-21-12-17(18-10-19(23)14-25-13-18)11-20(26-21)9-8-16-6-4-3-5-7-16/h3-7,10-15,24H,1-2H3,(H,26,27,28)/t15-/s2
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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...


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Ligand-Target Pair
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)


(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
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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...


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Ligand-Target Pair
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