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PubMed code 20684551

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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))
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
Show InChI InChI=1/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-/s2
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1.30n/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 cIAP1 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 2


(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
Show InChI InChI=1/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-/s2
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1.60n/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 cIAP1 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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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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 2


(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
Show InChI InChI=1/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-/s2
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6.60n/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 cIAP1 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 2


(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
Show InChI InChI=1/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-/s2
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6.70n/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 cIAP1 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 2


(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
Show InChI InChI=1/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-/s2
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7.90n/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 cIAP1 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 2


(Homo sapiens (Human))
BDBM50326212
PNG
((3S,6S,9S,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
Show InChI InChI=1/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-/s2
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12.2n/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 cIAP1 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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50326216
PNG
((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1/C33H43N5O4/c1-21(34-2)31(40)37-28-17-15-24(35-30(39)19-22-9-4-3-5-10-22)20-25-16-18-29(38(25)33(28)42)32(41)36-27-14-8-12-23-11-6-7-13-26(23)27/h3-7,9-11,13,21,24-25,27-29,34H,8,12,14-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t21-,24+,25+,27+,28-,29-/s2
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36n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50326212
PNG
((3S,6S,9S,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
Show InChI InChI=1/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-/s2
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47n/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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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108n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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111n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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191n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50326212
PNG
((3S,6S,9S,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
Show InChI InChI=1/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-/s2
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305n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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320n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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331n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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 2


(Homo sapiens (Human))
BDBM50326216
PNG
((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1/C33H43N5O4/c1-21(34-2)31(40)37-28-17-15-24(35-30(39)19-22-9-4-3-5-10-22)20-25-16-18-29(38(25)33(28)42)32(41)36-27-14-8-12-23-11-6-7-13-26(23)27/h3-7,9-11,13,21,24-25,27-29,34H,8,12,14-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t21-,24+,25+,27+,28-,29-/s2
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n/an/a 2.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50326216
PNG
((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1/C33H43N5O4/c1-21(34-2)31(40)37-28-17-15-24(35-30(39)19-22-9-4-3-5-10-22)20-25-16-18-29(38(25)33(28)42)32(41)36-27-14-8-12-23-11-6-7-13-26(23)27/h3-7,9-11,13,21,24-25,27-29,34H,8,12,14-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t21-,24+,25+,27+,28-,29-/s2
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n/an/a 5.30n/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 2


(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
Show InChI InChI=1/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-/s2
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n/an/a 9n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 2


(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
Show InChI InChI=1/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-/s2
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n/an/a 10.9n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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n/an/a 19.1n/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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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n/an/a 26.3n/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 2


(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
Show InChI InChI=1/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-/s2
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n/an/a 45.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 2


(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
Show InChI InChI=1/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-/s2
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n/an/a 46.2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 2


(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
Show InChI InChI=1/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-/s2
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n/an/a 54.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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n/an/a 74.7n/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 2


(Homo sapiens (Human))
BDBM50326212
PNG
((3S,6S,9S,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
Show InChI InChI=1/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-/s2
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n/an/a 84.1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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n/an/a 91.8n/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 (IAP1 BIR3)


(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
Show InChI InChI=1/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-/s2
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n/an/a 99.6n/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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50326216
PNG
((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1/C33H43N5O4/c1-21(34-2)31(40)37-28-17-15-24(35-30(39)19-22-9-4-3-5-10-22)20-25-16-18-29(38(25)33(28)42)32(41)36-27-14-8-12-23-11-6-7-13-26(23)27/h3-7,9-11,13,21,24-25,27-29,34H,8,12,14-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t21-,24+,25+,27+,28-,29-/s2
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n/an/a 125n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50326212
PNG
((3S,6S,9S,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
Show InChI InChI=1/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-/s2
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n/an/a 196n/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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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n/an/a 361n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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n/an/a 370n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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n/an/a 636n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50326212
PNG
((3S,6S,9S,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
Show InChI InChI=1/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-/s2
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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
X-linked inhibitor of apoptosis protein (XIAP)


(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
Show InChI InChI=1/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-/s2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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
* indicates data uncertainty>20%