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Compile Data Set for Download or QSAR

Found 138 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))
BDBM249161
PNG
(US9453048, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C61H79N9O8/c1-37(62-6)54(71)67-50(59(76)69-32-14-23-51(69)57(74)65-48-21-12-17-41-15-8-10-19-46(41)48)33-39-26-30-45(31-27-39)78-36-40-24-28-43(29-25-40)56(73)64-44-34-52(58(75)66-49-22-13-18-42-16-9-11-20-47(42)49)70(35-44)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h8-11,15-16,19-20,24-31,37-38,44,48-53,62-63H,12-14,17-18,21-23,32-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44?,48+,49?,50-,51?,52-,53+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249163
PNG
(US9453048, 4)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249167
PNG
(US9453048, 9)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50+,51?,52?,53?,54-,56+/s2
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249169
PNG
(US9453048, 11 | US9453048, 12)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/s2
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249174
PNG
(US9453048, 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50-,51?,52+,53?,54+/s2
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249162
PNG
(US9453048, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/s2
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US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249172
PNG
(US9453048, 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48-,49?,50?,51+,52?,53+/s2
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249168
PNG
(US9453048, 10)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/s2
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US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249160
PNG
(US9453048, 1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1/C66H81N9O8/c1-40(67-6)59(76)72-55(64(81)74-37-48-19-9-8-18-47(48)35-56(74)62(79)70-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-50(33-29-42)83-39-43-26-30-46(31-27-43)61(78)69-49-36-57(63(80)71-54-25-15-21-45-17-11-13-23-52(45)54)75(38-49)65(82)58(66(3,4)5)73-60(77)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,49,53-58,67-68H,14-15,20-21,24-25,34-39H2,1-7H3,(H,69,78)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t40-,41-,49-,53?,54?,55-,56-,57-,58+/s2
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249165
PNG
(US9453048, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C65H79N9O8/c1-39(66-6)58(75)71-54(63(80)73-37-46-19-9-8-18-45(46)35-55(73)61(78)69-52-24-14-20-42-16-10-12-22-50(42)52)34-41-26-30-48(31-27-41)82-49-32-28-44(29-33-49)60(77)68-47-36-56(62(79)70-53-25-15-21-43-17-11-13-23-51(43)53)74(38-47)64(81)57(65(3,4)5)72-59(76)40(2)67-7/h8-13,16-19,22-23,26-33,39-40,47,52-57,66-67H,14-15,20-21,24-25,34-38H2,1-7H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t39-,40-,47?,52+,53?,54-,55?,56-,57+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249166
PNG
(US9453048, 7)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C66H82N10O7/c1-40(67-6)59(77)73-55(64(82)75-38-48-19-9-8-18-47(48)35-56(75)62(80)71-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-49(33-29-42)69-37-43-26-30-46(31-27-43)61(79)70-50-36-57(63(81)72-54-25-15-21-45-17-11-13-23-52(45)54)76(39-50)65(83)58(66(3,4)5)74-60(78)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,50,53-58,67-69H,14-15,20-21,24-25,34-39H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t40-,41-,50?,53+,54?,55-,56?,57-,58+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249171
PNG
(US9453048, 13 | US9453048, 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249164
PNG
(US9453048, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)c(F)c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C66H80FN9O8/c1-39(68-6)59(77)73-55(64(82)75-36-46-19-9-8-18-45(46)34-56(75)62(80)71-53-24-14-20-43-16-10-12-22-49(43)53)33-41-26-29-48(30-27-41)84-38-42-28-31-51(52(67)32-42)61(79)70-47-35-57(63(81)72-54-25-15-21-44-17-11-13-23-50(44)54)76(37-47)65(83)58(66(3,4)5)74-60(78)40(2)69-7/h8-13,16-19,22-23,26-32,39-40,47,53-58,68-69H,14-15,20-21,24-25,33-38H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t39-,40-,47?,53+,54?,55-,56?,57-,58+/s2
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249178
PNG
(US9453048, 20)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(\C=C\c2ccc(cc2)C(=O)NC2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C67H81N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,26-35,41-42,51,54-59,68-69H,14-15,20-21,24-25,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/b27-26+/t41-,42-,51?,54+,55+,56-,57?,58?,59+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249177
PNG
(US9453048, 19)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1/C67H83N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,28-35,41-42,51,54-59,68-69H,14-15,20-21,24-27,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t41-,42-,51?,54?,55?,56-,57-,58-,59+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249176
PNG
(US9453048, 18)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc12
Show InChI InChI=1/C68H85N9O7/c1-42(69-6)61(78)73-56(65(82)76-40-51-20-10-9-19-50(51)38-59(76)66(83)75(8)57-26-16-22-48-18-12-14-24-54(48)57)37-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)63(80)71-52-39-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)77(41-52)67(84)60(68(3,4)5)74-62(79)43(2)70-7/h9-14,17-20,23-24,29-36,42-43,52,55-60,69-70H,15-16,21-22,25-28,37-41H2,1-8H3,(H,71,80)(H,72,81)(H,73,78)(H,74,79)/t42-,43-,52?,55?,56-,57?,58-,59-,60+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249171
PNG
(US9453048, 13 | US9453048, 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249169
PNG
(US9453048, 11 | US9453048, 12)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)

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


(Homo sapiens (Human))
BDBM249175
PNG
(US9453048, 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50+,51?,52+,53?,54+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (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))
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))
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))
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))
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))
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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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% Triton X100) for on...


US Patent US9481673 (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))
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))
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)
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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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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)
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))
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)
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))
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
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))
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
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))
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
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))
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
PDB

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US Patent
n/an/a 72n/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))
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 73n/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
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