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Compile Data Set for Download or QSAR

Found 257 hits of ph data with Target = 'Baculoviral IAP repeat-containing protein 2'   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139055
PNG
(US8883771, 1)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C64H86N12O8/c1-43(65-3)57(77)69-51-41-73(39-35-49-31-33-53(75(49)61(51)81)59(79)71-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)63(83)67-37-21-7-5-6-8-22-38-68-64(84)74-40-36-50-32-34-54(76(50)62(82)52(42-74)70-58(78)44(2)66-4)60(80)72-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t43-,44-,49+,50+,51-,52-,53-,54?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139056
PNG
(US8883771, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139057
PNG
(US8883771, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139058
PNG
(US8883771, 4)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)NCCCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-19-39-17-9-11-21-43(39)45)57(77)61-31-13-7-5-6-8-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-20-40-18-10-12-22-44(40)46/h9-12,17-18,21-22,37-38,41-42,45-50,59-60H,5-8,13-16,19-20,23-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139059
PNG
(US8883771, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCCc3ccccc23)cc1
Show InChI InChI=1S/C56H74N12O8/c1-33(57-3)49(69)63-45-31-65(29-27-39-23-25-47(67(39)53(45)73)51(71)61-43-17-9-13-35-11-5-7-15-41(35)43)55(75)59-37-19-21-38(22-20-37)60-56(76)66-30-28-40-24-26-48(68(40)54(74)46(32-66)64-50(70)34(2)58-4)52(72)62-44-18-10-14-36-12-6-8-16-42(36)44/h5-8,11-12,15-16,19-22,33-34,39-40,43-48,57-58H,9-10,13-14,17-18,23-32H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t33-,34-,39+,40+,43+,44+,45-,46-,47-,48?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139060
PNG
(US8883771, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCCc3ccccc23)c1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(28-26-41-22-24-49(69(41)55(47)75)53(73)63-45-20-10-16-39-14-5-7-18-43(39)45)57(77)61-31-37-12-9-13-38(30-37)32-62-58(78)68-29-27-42-23-25-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-21-11-17-40-15-6-8-19-44(40)46/h5-9,12-15,18-19,30,35-36,41-42,45-50,59-60H,10-11,16-17,20-29,31-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139061
PNG
(US8883771, 7)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CC\C=C\CCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C60H78N10O10S2/c1-41(61-3)55(71)63-49-39-67(35-33-47-29-31-51(69(47)59(49)75)57(73)65-53(43-21-11-7-12-22-43)44-23-13-8-14-24-44)81(77,78)37-19-5-6-20-38-82(79,80)68-36-34-48-30-32-52(70(48)60(76)50(40-68)64-56(72)42(2)62-4)58(74)66-54(45-25-15-9-16-26-45)46-27-17-10-18-28-46/h5-18,21-28,41-42,47-54,61-62H,19-20,29-40H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/b6-5+/t41-,42-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139062
PNG
(US8883771, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCC\C=C\CCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C62H82N10O10S2/c1-43(63-3)57(73)65-51-41-69(37-35-49-31-33-53(71(49)61(51)77)59(75)67-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)83(79,80)39-21-7-5-6-8-22-40-84(81,82)70-38-36-50-32-34-54(72(50)62(78)52(42-70)66-58(74)44(2)64-4)60(76)68-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h5-6,9-20,23-30,43-44,49-56,63-64H,7-8,21-22,31-42H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/b6-5+/t43-,44-,49+,50+,51-,52-,53-,54?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139063
PNG
(US8883771, 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C60H80N10O10S2/c1-41(61-3)55(71)63-49-39-67(35-33-47-29-31-51(69(47)59(49)75)57(73)65-53(43-21-11-7-12-22-43)44-23-13-8-14-24-44)81(77,78)37-19-5-6-20-38-82(79,80)68-36-34-48-30-32-52(70(48)60(76)50(40-68)64-56(72)42(2)62-4)58(74)66-54(45-25-15-9-16-26-45)46-27-17-10-18-28-46/h7-18,21-28,41-42,47-54,61-62H,5-6,19-20,29-40H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t41-,42-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139064
PNG
(US8883771, 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C62H84N10O10S2/c1-43(63-3)57(73)65-51-41-69(37-35-49-31-33-53(71(49)61(51)77)59(75)67-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)83(79,80)39-21-7-5-6-8-22-40-84(81,82)70-38-36-50-32-34-54(72(50)62(78)52(42-70)66-58(74)44(2)64-4)60(76)68-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,63-64H,5-8,21-22,31-42H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t43-,44-,49+,50+,51-,52-,53-,54?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139065
PNG
(US8883771, 11)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139066
PNG
(US8883771, 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCc4ccccc34)cc2)cc1
Show InChI InChI=1S/C63H80N12O8/c1-38(64-3)56(76)70-52-36-72(33-31-46-27-29-54(74(46)60(52)80)58(78)68-50-17-9-13-42-11-5-7-15-48(42)50)62(82)66-44-23-19-40(20-24-44)35-41-21-25-45(26-22-41)67-63(83)73-34-32-47-28-30-55(75(47)61(81)53(37-73)71-57(77)39(2)65-4)59(79)69-51-18-10-14-43-12-6-8-16-49(43)51/h5-8,11-12,15-16,19-26,38-39,46-47,50-55,64-65H,9-10,13-14,17-18,27-37H2,1-4H3,(H,66,82)(H,67,83)(H,68,78)(H,69,79)(H,70,76)(H,71,77)/t38-,39-,46+,47+,50+,51+,52-,53-,54-,55?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139067
PNG
(US8883771, 13)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C62H82N12O8/c1-41(63-3)55(75)67-49-39-71(37-33-47-29-31-51(73(47)59(49)79)57(77)69-53(43-21-11-7-12-22-43)44-23-13-8-14-24-44)61(81)65-35-19-5-6-20-36-66-62(82)72-38-34-48-30-32-52(74(48)60(80)50(40-72)68-56(76)42(2)64-4)58(78)70-54(45-25-15-9-16-26-45)46-27-17-10-18-28-46/h7-18,21-28,41-42,47-54,63-64H,5-6,19-20,29-40H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t41-,42-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139068
PNG
(US8883771, 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(34-32-47-28-30-51(73(47)59(49)79)57(77)69-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)61(81)65-45-26-17-27-46(36-45)66-62(82)72-35-33-48-29-31-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,47-54,63-64H,28-35,37-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139069
PNG
(US8883771, 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139070
PNG
(US8883771, 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(cc1C)-c1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1
Show InChI InChI=1S/C70H82N12O8/c1-43-39-51(27-31-55(43)75-69(89)79-37-35-53-29-33-59(81(53)67(87)57(41-79)73-63(83)45(3)71-5)65(85)77-61(47-19-11-7-12-20-47)48-21-13-8-14-22-48)52-28-32-56(44(2)40-52)76-70(90)80-38-36-54-30-34-60(82(54)68(88)58(42-80)74-64(84)46(4)72-6)66(86)78-62(49-23-15-9-16-24-49)50-25-17-10-18-26-50/h7-28,31-32,39-40,45-46,53-54,57-62,71-72H,29-30,33-38,41-42H2,1-6H3,(H,73,83)(H,74,84)(H,75,89)(H,76,90)(H,77,85)(H,78,86)/t45-,46-,53+,54+,57-,58-,59-,60?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139071
PNG
(US8883771, 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=S)Nc1ccc(NC(=S)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C62H74N12O6S2/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139072
PNG
(US8883771, 18)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CCc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C70H82N12O8/c1-45(71-3)63(83)75-57-43-79(41-39-55-35-37-59(81(55)67(57)87)65(85)77-61(49-17-9-5-10-18-49)50-19-11-6-12-20-50)69(89)73-53-31-27-47(28-32-53)25-26-48-29-33-54(34-30-48)74-70(90)80-42-40-56-36-38-60(82(56)68(88)58(44-80)76-64(84)46(2)72-4)66(86)78-62(51-21-13-7-14-22-51)52-23-15-8-16-24-52/h5-24,27-34,45-46,55-62,71-72H,25-26,35-44H2,1-4H3,(H,73,89)(H,74,90)(H,75,83)(H,76,84)(H,77,85)(H,78,86)/t45-,46-,55+,56+,57-,58-,59-,60?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139073
PNG
(US8883771, 19)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=S)Nc1ccc(Cc2ccc(NC(=S)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C69H80N12O6S2/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139074
PNG
(US8883771, 20)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Sc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C68H78N12O8S/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58?/m0/s1
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n/an/a<100n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139075
PNG
(US8883771, 21)
Show SMILES CNCC(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1CCN(CC1)C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C59H74N12O8/c1-39(61-3)53(73)63-47-38-69(31-29-45-25-27-49(71(45)57(47)77)55(75)65-52(42-20-12-6-13-21-42)43-22-14-7-15-23-43)59(79)67-34-32-66(33-35-67)58(78)68-30-28-44-24-26-48(70(44)56(76)46(37-68)62-50(72)36-60-2)54(74)64-51(40-16-8-4-9-17-40)41-18-10-5-11-19-41/h4-23,39,44-49,51-52,60-61H,24-38H2,1-3H3,(H,62,72)(H,63,73)(H,64,74)(H,65,75)/t39-,44+,45+,46-,47-,48?,49-/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139076
PNG
(US8883771, 22)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NC1CCC(CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C62H80N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-54,63-64H,25-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,45?,46?,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139077
PNG
(US8883771, 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc(cc1)C(C)(C)c1ccc(OC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C71H82N10O10/c1-45(72-5)63(82)74-57-43-78(41-39-53-31-37-59(80(53)67(57)86)65(84)76-61(47-19-11-7-12-20-47)48-21-13-8-14-22-48)69(88)90-55-33-27-51(28-34-55)71(3,4)52-29-35-56(36-30-52)91-70(89)79-42-40-54-32-38-60(81(54)68(87)58(44-79)75-64(83)46(2)73-6)66(85)77-62(49-23-15-9-16-24-49)50-25-17-10-18-26-50/h7-30,33-36,45-46,53-54,57-62,72-73H,31-32,37-44H2,1-6H3,(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t45-,46-,53+,54+,57-,58-,59-,60?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139078
PNG
(US8883771, 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C60H72N10O10S2/c1-39(61-3)55(71)63-49-37-67(34-32-45-28-30-51(69(45)59(49)75)57(73)65-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)81(77,78)47-26-17-27-48(36-47)82(79,80)68-35-33-46-29-31-52(70(46)60(76)50(38-68)64-56(72)40(2)62-4)58(74)66-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,45-46,49-54,61-62H,28-35,37-38H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t39-,40-,45+,46+,49-,50-,51-,52?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139079
PNG
(US8883771, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<300n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139080
PNG
(US8883771, 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C54H70N12O8/c1-31(55-3)47(67)61-43-29-63(25-23-37-19-21-45(65(37)51(43)71)49(69)59-41-27-39(41)33-11-7-5-8-12-33)53(73)57-35-15-17-36(18-16-35)58-54(74)64-26-24-38-20-22-46(50(70)60-42-28-40(42)34-13-9-6-10-14-34)66(38)52(72)44(30-64)62-48(68)32(2)56-4/h5-18,31-32,37-46,55-56H,19-30H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t31-,32-,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139081
PNG
(US8883771, 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C54H70N12O8/c1-31(55-3)47(67)61-43-29-63(25-23-37-19-21-45(65(37)51(43)71)49(69)59-41-27-39(41)33-11-7-5-8-12-33)53(73)57-35-15-17-36(18-16-35)58-54(74)64-26-24-38-20-22-46(50(70)60-42-28-40(42)34-13-9-6-10-14-34)66(38)52(72)44(30-64)62-48(68)32(2)56-4/h5-18,31-32,37-46,55-56H,19-30H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t31-,32-,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139082
PNG
(US8883771, 28)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccccc2F)cc1
Show InChI InChI=1S/C54H68F2N12O8/c1-29(57-3)47(69)63-43-27-65(23-21-33-17-19-45(67(33)51(43)73)49(71)61-41-25-37(41)35-9-5-7-11-39(35)55)53(75)59-31-13-15-32(16-14-31)60-54(76)66-24-22-34-18-20-46(68(34)52(74)44(28-66)64-48(70)30(2)58-4)50(72)62-42-26-38(42)36-10-6-8-12-40(36)56/h5-16,29-30,33-34,37-38,41-46,57-58H,17-28H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t29-,30-,33+,34+,37+,38+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139083
PNG
(US8883771, 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1
Show InChI InChI=1S/C54H68F2N12O8/c1-29(57-3)47(69)63-43-27-65(23-21-37-17-19-45(67(37)51(43)73)49(71)61-41-25-39(41)31-5-9-33(55)10-6-31)53(75)59-35-13-15-36(16-14-35)60-54(76)66-24-22-38-18-20-46(68(38)52(74)44(28-66)64-48(70)30(2)58-4)50(72)62-42-26-40(42)32-7-11-34(56)12-8-32/h5-16,29-30,37-46,57-58H,17-28H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t29-,30-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139084
PNG
(US8883771, 30)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C54H70N12O8/c1-31(55-3)47(67)61-43-29-63(25-23-37-19-21-45(65(37)51(43)71)49(69)59-41-27-39(41)33-11-7-5-8-12-33)53(73)57-35-15-17-36(18-16-35)58-54(74)64-26-24-38-20-22-46(50(70)60-42-28-40(42)34-13-9-6-10-14-34)66(38)52(72)44(30-64)62-48(68)32(2)56-4/h5-18,31-32,37-46,55-56H,19-30H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t31-,32-,37+,38+,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139085
PNG
(US8883771, 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C54H70N12O8/c1-31(55-3)47(67)61-43-29-63(25-23-37-19-21-45(65(37)51(43)71)49(69)59-41-27-39(41)33-11-7-5-8-12-33)53(73)57-35-15-17-36(18-16-35)58-54(74)64-26-24-38-20-22-46(50(70)60-42-28-40(42)34-13-9-6-10-14-34)66(38)52(72)44(30-64)62-48(68)32(2)56-4/h5-18,31-32,37-46,55-56H,19-30H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t31-,32-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139086
PNG
(US8883771, 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139087
PNG
(US8883771, 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139088
PNG
(US8883771, 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139089
PNG
(US8883771, 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139090
PNG
(US8883771, 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C56H68F6N12O8/c1-29(63-3)47(75)69-43-27-71(23-21-37-17-19-45(73(37)51(43)79)49(77)67-41-25-39(41)31-5-9-33(10-6-31)55(57,58)59)53(81)65-35-13-15-36(16-14-35)66-54(82)72-24-22-38-18-20-46(74(38)52(80)44(28-72)70-48(76)30(2)64-4)50(78)68-42-26-40(42)32-7-11-34(12-8-32)56(60,61)62/h5-16,29-30,37-46,63-64H,17-28H2,1-4H3,(H,65,81)(H,66,82)(H,67,77)(H,68,78)(H,69,75)(H,70,76)/t29-,30-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139091
PNG
(US8883771, 37)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(cc1F)C(F)(F)F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C56H66F8N12O8/c1-27(65-3)47(77)71-43-25-73(19-17-33-11-15-45(75(33)51(43)81)49(79)69-41-23-37(41)35-13-5-29(21-39(35)57)55(59,60)61)53(83)67-31-7-9-32(10-8-31)68-54(84)74-20-18-34-12-16-46(76(34)52(82)44(26-74)72-48(78)28(2)66-4)50(80)70-42-24-38(42)36-14-6-30(22-40(36)58)56(62,63)64/h5-10,13-14,21-22,27-28,33-34,37-38,41-46,65-66H,11-12,15-20,23-26H2,1-4H3,(H,67,83)(H,68,84)(H,69,79)(H,70,80)(H,71,77)(H,72,78)/t27-,28-,33+,34+,37+,38+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139092
PNG
(US8883771, 38)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(c(F)c1)C(F)(F)F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(c(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C56H66F8N12O8/c1-27(65-3)47(77)71-43-25-73(19-17-33-11-15-45(75(33)51(43)81)49(79)69-41-23-35(41)29-5-13-37(39(57)21-29)55(59,60)61)53(83)67-31-7-9-32(10-8-31)68-54(84)74-20-18-34-12-16-46(76(34)52(82)44(26-74)72-48(78)28(2)66-4)50(80)70-42-24-36(42)30-6-14-38(40(58)22-30)56(62,63)64/h5-10,13-14,21-22,27-28,33-36,41-46,65-66H,11-12,15-20,23-26H2,1-4H3,(H,67,83)(H,68,84)(H,69,79)(H,70,80)(H,71,77)(H,72,78)/t27-,28-,33+,34+,35+,36+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139093
PNG
(US8883771, 39)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)cc1
Show InChI InChI=1S/C61H76N12O8/c1-36(62-3)54(74)68-50-34-70(29-27-44-23-25-52(72(44)58(50)78)56(76)66-48-32-46(48)40-11-7-5-8-12-40)60(80)64-42-19-15-38(16-20-42)31-39-17-21-43(22-18-39)65-61(81)71-30-28-45-24-26-53(57(77)67-49-33-47(49)41-13-9-6-10-14-41)73(45)59(79)51(35-71)69-55(75)37(2)63-4/h5-22,36-37,44-53,62-63H,23-35H2,1-4H3,(H,64,80)(H,65,81)(H,66,76)(H,67,77)(H,68,74)(H,69,75)/t36-,37-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139094
PNG
(US8883771, 40)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C60H90N12O8/c1-39(61-3)53(73)67-49-37-69(35-31-43-27-29-51(71(43)57(49)77)55(75)65-47-25-15-13-23-45(47)41-19-9-7-10-20-41)59(79)63-33-17-5-6-18-34-64-60(80)70-36-32-44-28-30-52(72(44)58(78)50(38-70)68-54(74)40(2)62-4)56(76)66-48-26-16-14-24-46(48)42-21-11-8-12-22-42/h7-12,19-22,39-40,43-52,61-62H,5-6,13-18,23-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t39-,40-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139095
PNG
(US8883771, 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C60H90N12O8/c1-39(61-3)53(73)67-49-37-69(35-31-43-27-29-51(71(43)57(49)77)55(75)65-47-25-15-13-23-45(47)41-19-9-7-10-20-41)59(79)63-33-17-5-6-18-34-64-60(80)70-36-32-44-28-30-52(72(44)58(78)50(38-70)68-54(74)40(2)62-4)56(76)66-48-26-16-14-24-46(48)42-21-11-8-12-22-42/h7-12,19-22,39-40,43-52,61-62H,5-6,13-18,23-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t39-,40-,43+,44+,45-,46-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<5.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139096
PNG
(US8883771, 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139097
PNG
(US8883771, 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43-,44-,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139098
PNG
(US8883771, 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139099
PNG
(US8883771, 45)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139100
PNG
(US8883771, 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC1Cc2ccccc2C1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C54H78N12O8/c1-33(55-3)47(67)61-43-31-63(25-21-41-17-19-45(65(41)51(43)71)49(69)59-39-27-35-13-7-8-14-36(35)28-39)53(73)57-23-11-5-6-12-24-58-54(74)64-26-22-42-18-20-46(50(70)60-40-29-37-15-9-10-16-38(37)30-40)66(42)52(72)44(32-64)62-48(68)34(2)56-4/h7-10,13-16,33-34,39-46,55-56H,5-6,11-12,17-32H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t33-,34-,41+,42+,43-,44-,45-,46?/m0/s1
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n/an/a<1.00E+4n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139101
PNG
(US8883771, 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NCCc1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C52H78N12O8/c1-35(53-3)45(65)59-41-33-61(31-25-39-19-21-43(63(39)49(41)69)47(67)55-29-23-37-15-9-7-10-16-37)51(71)57-27-13-5-6-14-28-58-52(72)62-32-26-40-20-22-44(48(68)56-30-24-38-17-11-8-12-18-38)64(40)50(70)42(34-62)60-46(66)36(2)54-4/h7-12,15-18,35-36,39-44,53-54H,5-6,13-14,19-34H2,1-4H3,(H,55,67)(H,56,68)(H,57,71)(H,58,72)(H,59,65)(H,60,66)/t35-,36-,39+,40+,41-,42-,43-,44?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139102
PNG
(US8883771, 48)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CC[C@@H]1c1ccccc1
Show InChI InChI=1S/C56H82N12O8/c1-35(57-3)49(69)63-45-33-65(31-27-39-19-25-47(67(39)53(45)73)51(71)61-43-23-21-41(43)37-15-9-7-10-16-37)55(75)59-29-13-5-6-14-30-60-56(76)66-32-28-40-20-26-48(68(40)54(74)46(34-66)64-50(70)36(2)58-4)52(72)62-44-24-22-42(44)38-17-11-8-12-18-38/h7-12,15-18,35-36,39-48,57-58H,5-6,13-14,19-34H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35-,36-,39+,40+,41+,42+,43-,44-,45-,46-,47-,48?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139103
PNG
(US8883771, 49)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@@H](C1)c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1C[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C56H82N12O8/c1-35(57-3)49(69)63-45-33-65(27-23-43-19-21-47(67(43)53(45)73)51(71)61-41-29-39(30-41)37-15-9-7-10-16-37)55(75)59-25-13-5-6-14-26-60-56(76)66-28-24-44-20-22-48(68(44)54(74)46(34-66)64-50(70)36(2)58-4)52(72)62-42-31-40(32-42)38-17-11-8-12-18-38/h7-12,15-18,35-36,39-48,57-58H,5-6,13-14,19-34H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35-,36-,39-,40-,41-,42-,43+,44+,45-,46-,47-,48?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM139104
PNG
(US8883771, 50)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@H](C1)c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1C[C@H](C1)c1ccccc1
Show InChI InChI=1S/C56H82N12O8/c1-35(57-3)49(69)63-45-33-65(27-23-43-19-21-47(67(43)53(45)73)51(71)61-41-29-39(30-41)37-15-9-7-10-16-37)55(75)59-25-13-5-6-14-26-60-56(76)66-28-24-44-20-22-48(68(44)54(74)46(34-66)64-50(70)36(2)58-4)52(72)62-42-31-40(32-42)38-17-11-8-12-18-38/h7-12,15-18,35-36,39-48,57-58H,5-6,13-14,19-34H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35-,36-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
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