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Compile Data Set for Download or QSAR

Found 66 hits of ki for UniProtKB: Q13489   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50255183
PNG
((1S,3S,6S,10aS)-1-benzyl-6-((S)-2-(methylamino)pro...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C32H42N4O3/c1-21(33-2)30(37)35-27-16-8-9-18-28-24(19-22-11-4-3-5-12-22)20-29(36(28)32(27)39)31(38)34-26-17-10-14-23-13-6-7-15-25(23)26/h3-7,11-13,15,21,24,26-29,33H,8-10,14,16-20H2,1-2H3,(H,34,38)(H,35,37)/t21-,24-,26+,27-,28-,29-/m0/s1
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 0.25n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 52: 593-6 (2009)


Article DOI: 10.1021/jm801101z
BindingDB Entry DOI: 10.7270/Q2Z03816
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM26223
PNG
((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O3/c1-16(26-2)23(30)28-21-12-6-4-10-18-14-15-22(29(18)25(21)32)24(31)27-20-13-7-9-17-8-3-5-11-19(17)20/h3,5,8,11,16,18,20-22,26H,4,6-7,9-10,12-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,18-,20+,21-,22-/m0/s1
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 1n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 52: 593-6 (2009)


Article DOI: 10.1021/jm801101z
BindingDB Entry DOI: 10.7270/Q2Z03816
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343521
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCc2ccc(CCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C60H80N14O6/c1-39(61-3)55(75)63-47-25-13-11-23-45-31-33-51(73(45)59(47)79)57(77)65-53(43-19-7-5-8-20-43)49-37-71(69-67-49)35-15-17-41-27-29-42(30-28-41)18-16-36-72-38-50(68-70-72)54(44-21-9-6-10-22-44)66-58(78)52-34-32-46-24-12-14-26-48(60(80)74(46)52)64-56(76)40(2)62-4/h5-10,19-22,27-30,37-40,45-48,51-54,61-62H,11-18,23-26,31-36H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t39-,40-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393632
PNG
(CHEMBL2158601)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C60H76N10O8/c1-39(61-3)55(73)63-47-37-67(35-33-45-29-31-49(69(45)59(47)77)57(75)65-53(41-19-9-5-10-20-41)42-21-11-6-12-22-42)51(71)27-17-18-28-52(72)68-36-34-46-30-32-50(70(46)60(78)48(38-68)64-56(74)40(2)62-4)58(76)66-54(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-50,53-54,61-62H,17-18,27-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393507
PNG
(CHEMBL2158053)
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](c1cn(CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1)c1ccccc1)C(=O)CC(C)C |r|
Show InChI InChI=1S/C54H86N12O7S/c1-37(2)33-48(69)64-32-28-40-26-27-44(66(40)53(72)42(34-64)58-51(70)38(3)55-4)52(71)60-49(39-21-13-11-14-22-39)41-35-65(63-62-41)31-20-10-8-6-5-7-9-18-29-56-46(67)24-15-12-19-30-57-47(68)25-17-16-23-45-50-43(36-74-45)59-54(73)61-50/h11,13-14,21-22,35,37-38,40,42-45,49-50,55H,5-10,12,15-20,23-34,36H2,1-4H3,(H,56,67)(H,57,68)(H,58,70)(H,60,71)(H2,59,61,73)/t38-,40+,42-,43-,44-,45-,49-,50-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay

J Med Chem 54: 2714-26 (2011)


Article DOI: 10.1021/jm101505d
BindingDB Entry DOI: 10.7270/Q2H70GXK
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393631
PNG
(CHEMBL2158600)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C58H72N10O8/c1-37(59-3)53(71)61-45-35-65(33-31-43-25-27-47(67(43)57(45)75)55(73)63-51(39-17-9-5-10-18-39)40-19-11-6-12-20-40)49(69)29-30-50(70)66-34-32-44-26-28-48(68(44)58(76)46(36-66)62-54(72)38(2)60-4)56(74)64-52(41-21-13-7-14-22-41)42-23-15-8-16-24-42/h5-24,37-38,43-48,51-52,59-60H,25-36H2,1-4H3,(H,61,71)(H,62,72)(H,63,73)(H,64,74)/t37-,38-,43+,44+,45-,46-,47-,48-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM26218
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
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 1.84n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 52: 593-6 (2009)


Article DOI: 10.1021/jm801101z
BindingDB Entry DOI: 10.7270/Q2Z03816
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393630
PNG
(CHEMBL2158599)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C56H80N14O6/c1-37(57-3)51(71)59-43-27-17-15-25-41-29-31-47(69(41)55(43)75)53(73)61-49(39-21-11-9-12-22-39)45-35-67(65-63-45)33-19-7-5-6-8-20-34-68-36-46(64-66-68)50(40-23-13-10-14-24-40)62-54(74)48-32-30-42-26-16-18-28-44(56(76)70(42)48)60-52(72)38(2)58-4/h9-14,21-24,35-38,41-44,47-50,57-58H,5-8,15-20,25-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343522
PNG
((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343524
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C60H88N14O6/c1-41(61-3)55(75)63-47-31-21-19-29-45-33-35-51(73(45)59(47)79)57(77)65-53(43-25-15-13-16-26-43)49-39-71(69-67-49)37-23-11-9-7-5-6-8-10-12-24-38-72-40-50(68-70-72)54(44-27-17-14-18-28-44)66-58(78)52-36-34-46-30-20-22-32-48(60(80)74(46)52)64-56(76)42(2)62-4/h13-18,25-28,39-42,45-48,51-54,61-62H,5-12,19-24,29-38H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t41-,42-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343523
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343519
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCc2ccc(CCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C66H92N14O6/c1-45(67-3)61(81)69-53-31-19-17-29-51-37-39-57(79(51)65(53)85)63(83)71-59(49-25-13-9-14-26-49)55-43-77(75-73-55)41-21-7-5-11-23-47-33-35-48(36-34-47)24-12-6-8-22-42-78-44-56(74-76-78)60(50-27-15-10-16-28-50)72-64(84)58-40-38-52-30-18-20-32-54(66(86)80(52)58)70-62(82)46(2)68-4/h9-10,13-16,25-28,33-36,43-46,51-54,57-60,67-68H,5-8,11-12,17-24,29-32,37-42H2,1-4H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t45-,46-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343518
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCc2ccc(CCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C58H76N14O6/c1-37(59-3)53(73)61-45-21-13-11-19-43-27-29-49(71(43)57(45)77)55(75)63-51(41-15-7-5-8-16-41)47-35-69(67-65-47)33-31-39-23-25-40(26-24-39)32-34-70-36-48(66-68-70)52(42-17-9-6-10-18-42)64-56(76)50-30-28-44-20-12-14-22-46(58(78)72(44)50)62-54(74)38(2)60-4/h5-10,15-18,23-26,35-38,43-46,49-52,59-60H,11-14,19-22,27-34H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t37-,38-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343522
PNG
((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50255244
PNG
((1S,3S,6S,10aS,Z)-1-benzyl-6-((S)-2-(methylamino)p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1C\C=C/C[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,c:9|
Show InChI InChI=1S/C32H40N4O3/c1-21(33-2)30(37)35-27-16-8-9-18-28-24(19-22-11-4-3-5-12-22)20-29(36(28)32(27)39)31(38)34-26-17-10-14-23-13-6-7-15-25(23)26/h3-9,11-13,15,21,24,26-29,33H,10,14,16-20H2,1-2H3,(H,34,38)(H,35,37)/b9-8-/t21-,24-,26+,27-,28-,29-/m0/s1
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 2.09n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 52: 593-6 (2009)


Article DOI: 10.1021/jm801101z
BindingDB Entry DOI: 10.7270/Q2Z03816
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432759
PNG
(CHEMBL2348619)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 2.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343517
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCOCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C58H84N14O7/c1-39(59-3)53(73)61-45-27-15-13-25-43-29-31-49(71(43)57(45)77)55(75)63-51(41-21-9-5-10-22-41)47-37-69(67-65-47)33-17-7-19-35-79-36-20-8-18-34-70-38-48(66-68-70)52(42-23-11-6-12-24-42)64-56(76)50-32-30-44-26-14-16-28-46(58(78)72(44)50)62-54(74)40(2)60-4/h5-6,9-12,21-24,37-40,43-46,49-52,59-60H,7-8,13-20,25-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343515
PNG
((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2cn(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)nn2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C58H81N17O6/c1-38(59-3)53(76)61-45-26-13-11-24-43-28-30-49(74(43)57(45)80)55(78)63-51(40-19-7-5-8-20-40)47-36-72(69-66-47)32-16-15-23-42-35-71(68-65-42)33-17-18-34-73-37-48(67-70-73)52(41-21-9-6-10-22-41)64-56(79)50-31-29-44-25-12-14-27-46(58(81)75(44)50)62-54(77)39(2)60-4/h5-10,19-22,35-39,43-46,49-52,59-60H,11-18,23-34H2,1-4H3,(H,61,76)(H,62,77)(H,63,78)(H,64,79)/t38-,39-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343516
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCNC(=O)NCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C57H82N16O7/c1-37(58-3)51(74)62-43-25-13-11-23-41-27-29-47(72(41)55(43)78)53(76)64-49(39-19-7-5-8-20-39)45-35-70(68-66-45)33-17-15-31-60-57(80)61-32-16-18-34-71-36-46(67-69-71)50(40-21-9-6-10-22-40)65-54(77)48-30-28-42-24-12-14-26-44(56(79)73(42)48)63-52(75)38(2)59-4/h5-10,19-22,35-38,41-44,47-50,58-59H,11-18,23-34H2,1-4H3,(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H2,60,61,80)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1
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 3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343512
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCc2ccc(CCCCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C70H100N14O6/c1-49(71-3)65(85)73-57-35-23-21-33-55-41-43-61(83(55)69(57)89)67(87)75-63(53-29-17-13-18-30-53)59-47-81(79-77-59)45-25-11-7-5-9-15-27-51-37-39-52(40-38-51)28-16-10-6-8-12-26-46-82-48-60(78-80-82)64(54-31-19-14-20-32-54)76-68(88)62-44-42-56-34-22-24-36-58(70(90)84(56)62)74-66(86)50(2)72-4/h13-14,17-20,29-32,37-40,47-50,55-58,61-64,71-72H,5-12,15-16,21-28,33-36,41-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)/t49-,50-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
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 3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50273698
PNG
((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(C)=O |r|
Show InChI InChI=1S/C29H37N5O4/c1-19(30-3)27(36)31-24-18-33(20(2)35)17-16-23-14-15-25(34(23)29(24)38)28(37)32-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,23-26,30H,14-18H2,1-3H3,(H,31,36)(H,32,37)/t19-,23+,24-,25-/m0/s1
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 3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393633
PNG
(CHEMBL2158602)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C62H80N10O8/c1-41(63-3)57(75)65-49-39-69(37-35-47-31-33-51(71(47)61(49)79)59(77)67-55(43-21-11-7-12-22-43)44-23-13-8-14-24-44)53(73)29-19-5-6-20-30-54(74)70-38-36-48-32-34-52(72(48)62(80)50(40-70)66-58(76)42(2)64-4)60(78)68-56(45-25-15-9-16-26-45)46-27-17-10-18-28-46/h7-18,21-28,41-42,47-52,55-56,63-64H,5-6,19-20,29-40H2,1-4H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)/t41-,42-,47+,48+,49-,50-,51-,52-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393637
PNG
(CHEMBL2158606)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCOCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1
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 4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343520
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCOCCCCOCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C56H80N14O8/c1-37(57-3)51(71)59-43-23-13-11-21-41-25-27-47(69(41)55(43)75)53(73)61-49(39-17-7-5-8-18-39)45-35-67(65-63-45)29-33-77-31-15-16-32-78-34-30-68-36-46(64-66-68)50(40-19-9-6-10-20-40)62-54(74)48-28-26-42-22-12-14-24-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,17-20,35-38,41-44,47-50,57-58H,11-16,21-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1
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 4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50326214
PNG
((3S,6S,9R,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H43N5O4/c1-24(37-2)34(43)39-30-20-18-28(38-32(42)22-25-12-6-3-7-13-25)23-29-19-21-31(41(29)36(30)45)35(44)40-33(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-31,33,37H,18-23H2,1-2H3,(H,38,42)(H,39,43)(H,40,44)/t24-,28+,29+,30-,31-/m0/s1
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 4.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 53: 6361-7 (2010)


Article DOI: 10.1021/jm100487z
BindingDB Entry DOI: 10.7270/Q27H1JTQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393505
PNG
(CHEMBL2158051)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C |r|
Show InChI InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1
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PubMed
 5.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay

J Med Chem 54: 2714-26 (2011)


Article DOI: 10.1021/jm101505d
BindingDB Entry DOI: 10.7270/Q2H70GXK
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432763
PNG
(CHEMBL2348623)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 5.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343510
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(Cc2ccc(Cn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C56H72N14O6/c1-35(57-3)51(71)59-43-21-13-11-19-41-27-29-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-33-67(65-63-45)31-37-23-25-38(26-24-37)32-68-34-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-30-28-42-20-12-14-22-44(56(76)70(42)48)60-52(72)36(2)58-4/h5-10,15-18,23-26,33-36,41-44,47-50,57-58H,11-14,19-22,27-32H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t35-,36-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1
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 6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50273699
PNG
((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methyl-amino)p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H41N5O4/c1-24(36-2)33(42)37-29-23-39(31(41)22-25-12-6-3-7-13-25)21-20-28-18-19-30(40(28)35(29)44)34(43)38-32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-30,32,36H,18-23H2,1-2H3,(H,37,42)(H,38,43)/t24-,28+,29-,30-/m0/s1
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 6.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 53: 6361-7 (2010)


Article DOI: 10.1021/jm100487z
BindingDB Entry DOI: 10.7270/Q27H1JTQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393634
PNG
(CHEMBL2158603)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1
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 6.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393635
PNG
(CHEMBL2158604)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/m0/s1
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 6.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343511
PNG
((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCOCCOCCOCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1
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 7n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432756
PNG
(CHEMBL2348616)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 7.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432761
PNG
(CHEMBL2348621)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 7.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432754
PNG
(CHEMBL2348614)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccc(CC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C64H76N10O8/c1-41(65-3)59(77)67-51-39-71(35-33-49-29-31-53(73(49)63(51)81)61(79)69-57(45-17-9-5-10-18-45)46-19-11-6-12-20-46)55(75)37-43-25-27-44(28-26-43)38-56(76)72-36-34-50-30-32-54(74(50)64(82)52(40-72)68-60(78)42(2)66-4)62(80)70-58(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,41-42,49-54,57-58,65-66H,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1
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 7.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432760
PNG
(CHEMBL2348620)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 9.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432758
PNG
(CHEMBL2348618)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CC[C@@H](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 |r,wU:38.41,50.59,53.72,57.65,62.69,wD:41.48,12.16,7.6,2.2,15.20,(49.77,-12.92,;51.31,-12.89,;52.07,-11.55,;53.61,-11.53,;51.28,-10.23,;52.03,-8.88,;49.74,-10.25,;48.95,-8.93,;49.87,-7.69,;49.64,-6.16,;48.41,-5.25,;46.89,-5.47,;45.97,-6.7,;44.45,-6.45,;43.73,-7.81,;44.81,-8.91,;46.19,-8.23,;47.42,-9.15,;47.04,-10.64,;44.55,-10.43,;45.74,-11.42,;43.11,-10.97,;41.77,-10.2,;41.77,-8.66,;43.1,-7.89,;43.1,-6.35,;41.77,-5.58,;40.44,-6.36,;40.44,-7.9,;40.45,-10.97,;39.12,-10.19,;37.79,-10.96,;37.78,-12.5,;39.14,-13.28,;40.46,-12.5,;50.97,-5.37,;50.95,-3.83,;52.31,-6.12,;53.85,-6.12,;54.61,-4.79,;56.15,-4.78,;56.92,-6.12,;56.15,-7.44,;54.62,-7.44,;58.46,-6.12,;59.79,-5.33,;59.79,-3.79,;61.13,-6.09,;62.36,-5.14,;63.88,-5.33,;64.83,-6.55,;66.33,-6.27,;67.07,-7.61,;66.02,-8.72,;64.64,-8.07,;63.41,-9.02,;63.82,-10.51,;61.89,-8.83,;60.94,-7.61,;61.13,-10.17,;59.59,-10.18,;58.81,-8.85,;58.82,-11.51,;57.28,-11.52,;59.6,-12.84,;58.84,-14.18,;66.31,-10.23,;65.14,-11.24,;67.76,-10.74,;68.05,-12.25,;66.74,-13.05,;65.39,-12.31,;64.07,-13.12,;64.11,-14.66,;65.47,-15.39,;66.78,-14.59,;69.4,-12.99,;69.43,-14.53,;70.78,-15.27,;72.1,-14.47,;72.06,-12.92,;70.71,-12.19,)|
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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 10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50343513
PNG
((3S,6S,10aS)-6-((S)-2-acetamido-3-(1H-indol-3-yl)p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(C)=O)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C71H89N15O7/c1-46(72-3)66(88)75-57-30-13-10-26-53-36-38-62(85(53)70(57)92)68(90)77-64(50-22-6-4-7-23-50)60-44-83(81-79-60)40-18-16-20-48-32-34-49(35-33-48)21-17-19-41-84-45-61(80-82-84)65(51-24-8-5-9-25-51)78-69(91)63-39-37-54-27-11-14-31-58(71(93)86(54)63)76-67(89)59(74-47(2)87)42-52-43-73-56-29-15-12-28-55(52)56/h4-9,12,15,22-25,28-29,32-35,43-46,53-54,57-59,62-65,72-73H,10-11,13-14,16-21,26-27,30-31,36-42H2,1-3H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)/t46-,53-,54-,57-,58-,59-,62-,63-,64-,65-/m0/s1
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 11n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432757
PNG
(CHEMBL2348617)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
Show InChI InChI=1S/C60H76N12O8/c1-39(61-3)53(73)63-47-37-69(31-29-45-25-27-49(71(45)57(47)77)55(75)65-51(41-17-9-5-10-18-41)42-19-11-6-12-20-42)59(79)67-33-35-68(36-34-67)60(80)70-32-30-46-26-28-50(72(46)58(78)48(38-70)64-54(74)40(2)62-4)56(76)66-52(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-52,61-62H,25-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1
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 11n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393638
PNG
(CHEMBL2158607)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(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 |r|
Show InChI InChI=1S/C62H72N10O8/c1-39(63-3)55(73)65-49-37-69(35-33-47-29-31-51(71(47)61(49)79)57(75)67-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)59(77)45-25-27-46(28-26-45)60(78)70-36-34-48-30-32-52(72(48)62(80)50(38-70)66-56(74)40(2)64-4)58(76)68-54(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,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1
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 11n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432755
PNG
(CHEMBL2348615)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50432762
PNG
(CHEMBL2348622)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](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 |r|
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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 13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F

J Med Chem 56: 3969-79 (2013)


Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50393636
PNG
(CHEMBL2158605)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCc1ccc(CCCCC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C70H88N10O8/c1-47(71-3)65(83)73-57-45-77(43-41-55-37-39-59(79(55)69(57)87)67(85)75-63(51-23-9-5-10-24-51)52-25-11-6-12-26-52)61(81)31-19-17-21-49-33-35-50(36-34-49)22-18-20-32-62(82)78-44-42-56-38-40-60(80(56)70(88)58(46-78)74-66(84)48(2)72-4)68(86)76-64(53-27-13-7-14-28-53)54-29-15-8-16-30-54/h5-16,23-30,33-36,47-48,55-60,63-64,71-72H,17-22,31-32,37-46H2,1-4H3,(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t47-,48-,55+,56+,57-,58-,59-,60-/m0/s1
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 14n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM26218
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
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 18n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay

J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM26218
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
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 18.3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay

J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM26218
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
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 18.3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 53: 6361-7 (2010)


Article DOI: 10.1021/jm100487z
BindingDB Entry DOI: 10.7270/Q27H1JTQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50326215
PNG
((3S,6S,9R,10aR)-N-benzhydryl-9-hydroxy-6-((S)-2-(m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](O)C[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O4/c1-18(29-2)26(34)30-23-15-14-22(33)17-21-13-16-24(32(21)28(23)36)27(35)31-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-25,29,33H,13-17H2,1-2H3,(H,30,34)(H,31,35)/t18-,21+,22+,23-,24-/m0/s1
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 22.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 53: 6361-7 (2010)


Article DOI: 10.1021/jm100487z
BindingDB Entry DOI: 10.7270/Q27H1JTQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50316637
PNG
((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)c1ccccc1)NC(=O)[C@H](C)NC)c1ccccc1 |r|
Show InChI InChI=1S/C48H66N14O6/c1-31(49-3)43(63)51-35-21-11-13-25-59-29-37(55-57-59)42(34-19-9-6-10-20-34)54-46(66)40-24-16-28-62(40)48(68)36(52-44(64)32(2)50-4)22-12-14-26-60-30-38(56-58-60)41(33-17-7-5-8-18-33)53-45(65)39-23-15-27-61(39)47(35)67/h5-10,17-20,29-32,35-36,39-42,49-50H,11-16,21-28H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)/t31-,32-,35-,36-,39-,40-,41-,42-/m0/s1
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 24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to cIAP2 BIR3 domain by fluorescence polarization assay

Bioorg Med Chem Lett 20: 3043-6 (2010)


BindingDB Entry DOI: 10.7270/Q2DF6RC4
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50326213
PNG
((3S,6S,9S,10aR)-N-Benzhydryl-9-hydroxy-6-((S)-2-(m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](O)C[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O4/c1-18(29-2)26(34)30-23-15-14-22(33)17-21-13-16-24(32(21)28(23)36)27(35)31-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-25,29,33H,13-17H2,1-2H3,(H,30,34)(H,31,35)/t18-,21+,22-,23-,24-/m0/s1
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 24.8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...

J Med Chem 53: 6361-7 (2010)


Article DOI: 10.1021/jm100487z
BindingDB Entry DOI: 10.7270/Q27H1JTQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM13211
PNG
((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1
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 25 -10.3 460n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...

Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
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