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20 similar compounds to monomer 44323

Compile data set for download or QSAR
Wt: 450.5
BDBM13151
Wt: 464.5
BDBM13152
Wt: 450.5
BDBM44281
Wt: 498.6
BDBM44361
Wt: 450.5
BDBM44365
Wt: 478.6
BDBM44255
Wt: 512.6
BDBM44256
Wt: 464.5
BDBM44257
Wt: 450.5
BDBM44267
Wt: 478.6
BDBM44266
Wt: 478.6
BDBM44291
Wt: 595.7
BDBM50273699
Wt: 609.7
BDBM50326212
Wt: 609.7
BDBM50326214
Wt: 512.6
BDBM50348193
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 13151,13152,44281,44361,44365,44255,44256,44257,44267,44266,44291,50273699,50326212,50326214,50348193   
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 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=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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PubMed
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))
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=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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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-1 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


J Med Chem 51: 8158-62 (2008)


Article DOI: 10.1021/jm801254r
BindingDB Entry DOI: 10.7270/Q2BR8S2R
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=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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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=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 8


(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=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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4.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


J Med Chem 51: 8158-62 (2008)


Article DOI: 10.1021/jm801254r
BindingDB Entry DOI: 10.7270/Q2BR8S2R
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=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 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=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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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
XIAP-BIR3


(Homo sapiens (Human))
BDBM13152
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbu...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H36N4O3/c1-4-21(28)25(32)29-23(18(2)3)27(34)31-17-11-16-22(31)26(33)30-24(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-24H,4,11,16-17,28H2,1-3H3,(H,29,32)(H,30,33)/t21-,22-,23-/m0/s1
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24 -10.3n/an/an/an/an/a7.522



University of Michigan



Assay Description
A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...


Bioorg Med Chem Lett 15: 793-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.008
BindingDB Entry DOI: 10.7270/Q2H41PP8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
XIAP-BIR3


(Homo sapiens (Human))
BDBM13151
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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28 -10.2n/an/an/an/an/a7.522



University of Michigan



Assay Description
A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...


Bioorg Med Chem Lett 15: 793-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.008
BindingDB Entry DOI: 10.7270/Q2H41PP8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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=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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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=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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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=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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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))
BDBM13151
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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250n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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=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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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))
BDBM44291
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1
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350n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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700n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44266
PNG
((2S)-N-(diphenylmethyl)-1-[(2S,3S)-3-methyl-2-[[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-5-19(2)24(30-26(33)20(3)29-4)28(35)32-18-12-17-23(32)27(34)31-25(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25,29H,5,12,17-18H2,1-4H3,(H,30,33)(H,31,34)/t19-,20-,23-,24-/m0/s1
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800n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50348193
PNG
(CHEMBL1800336)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)/t22-,26-,27-/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM13151
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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1.36E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44291
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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3.12E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44266
PNG
((2S)-N-(diphenylmethyl)-1-[(2S,3S)-3-methyl-2-[[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-5-19(2)24(30-26(33)20(3)29-4)28(35)32-18-12-17-23(32)27(34)31-25(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25,29H,5,12,17-18H2,1-4H3,(H,30,33)(H,31,34)/t19-,20-,23-,24-/m0/s1
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4.41E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50348193
PNG
(CHEMBL1800336)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)/t22-,26-,27-/m0/s1
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9.07E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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=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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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
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=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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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=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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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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44291
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44281
PNG
((2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
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=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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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 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=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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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 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=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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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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44266
PNG
((2S)-N-(diphenylmethyl)-1-[(2S,3S)-3-methyl-2-[[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-5-19(2)24(30-26(33)20(3)29-4)28(35)32-18-12-17-23(32)27(34)31-25(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25,29H,5,12,17-18H2,1-4H3,(H,30,33)(H,31,34)/t19-,20-,23-,24-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44257
PNG
(MLS-0390899.0001 | N-(diphenylmethyl)-1-[3-methyl-...)
Show SMILES CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H36N4O3/c1-18(2)23(29-25(32)19(3)28-4)27(34)31-17-11-16-22(31)26(33)30-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-24,28H,11,16-17H2,1-4H3,(H,29,32)(H,30,33)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
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=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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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))
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=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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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=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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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))
BDBM44256
PNG
(MLS-0390871.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44255
PNG
((2S)-1-[(2S)-3,3-dimethyl-2-[2-(methylamino)propan...)
Show SMILES CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H38N4O3/c1-19(29-5)25(33)31-24(28(2,3)4)27(35)32-18-12-17-22(32)26(34)30-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22-24,29H,12,17-18H2,1-5H3,(H,30,34)(H,31,33)/t19?,22-,24+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44361
PNG
(MLS-0390869.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)
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n/an/a 2.44E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44255
PNG
((2S)-1-[(2S)-3,3-dimethyl-2-[2-(methylamino)propan...)
Show SMILES CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H38N4O3/c1-19(29-5)25(33)31-24(28(2,3)4)27(35)32-18-12-17-22(32)26(34)30-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22-24,29H,12,17-18H2,1-5H3,(H,30,34)(H,31,33)/t19?,22-,24+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44256
PNG
(MLS-0390871.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44257
PNG
(MLS-0390899.0001 | N-(diphenylmethyl)-1-[3-methyl-...)
Show SMILES CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H36N4O3/c1-18(2)23(29-25(32)19(3)28-4)27(34)31-17-11-16-22(31)26(33)30-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-24,28H,11,16-17H2,1-4H3,(H,29,32)(H,30,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44266
PNG
((2S)-N-(diphenylmethyl)-1-[(2S,3S)-3-methyl-2-[[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-5-19(2)24(30-26(33)20(3)29-4)28(35)32-18-12-17-23(32)27(34)31-25(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25,29H,5,12,17-18H2,1-4H3,(H,30,33)(H,31,34)/t19-,20-,23-,24-/m0/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44291
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44281
PNG
((2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44365
PNG
((2S)-1-[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-3...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21+,22+/m1/s1
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n/an/a 7.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair