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34 similar compounds to monomer 50436890

Compile data set for download or QSAR
Wt: 428.5
BDBM165
Wt: 442.5
BDBM13166
Purchase
Wt: 442.5
BDBM13167
Wt: 468.6
BDBM13175
Wt: 456.6
BDBM13177
Wt: 482.6
BDBM13179
Wt: 442.5
BDBM13180
Wt: 428.5
BDBM44263
Wt: 440.5
BDBM26223
Wt: 440.5
BDBM26224
Wt: 442.5
BDBM44293
Wt: 457.5
BDBM44297
Wt: 487.6
BDBM44302
Wt: 432.5
BDBM44325
Wt: 418.5
BDBM44330
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 165,13166,13167,13175,13177,13179,13180,44263,26223,26224,44293,44297,44302,44325,44330   
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))
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
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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PubMed
0.680n/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 cIAP1 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 (IAP1 BIR3)


(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
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
X-linked inhibitor of apoptosis protein (XIAP)


(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
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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14n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
XIAP-BIR3


(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
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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14 -10.6n/an/an/an/an/a7.522



University of Michigan



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


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM26224
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
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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29n/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 cIAP1 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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44263
PNG
(CHEMBL1622024 | MLS-0390980.0001 | cid_25241637 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19?,20-,21-/m0/s1
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120n/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
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM26224
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
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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132n/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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM26224
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
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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209n/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 XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...


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
XIAP-BIR3


(Homo sapiens (Human))
BDBM26224
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
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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274 -8.86n/an/an/an/an/a7.522



University of Michigan



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


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44263
PNG
(CHEMBL1622024 | MLS-0390980.0001 | cid_25241637 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19?,20-,21-/m0/s1
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2.01E+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))
BDBM44330
PNG
(MLS-0412179.0001 | cid_44182253 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C22H34N4O4/c1-13(2)19(26-20(28)14(3)23-4)22(30)25-18(12-27)21(29)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,13-14,17-19,23,27H,7,9,11-12H2,1-4H3,(H,24,29)(H,25,30)(H,26,28)/t14-,17?,18-,19-/m0/s1
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n/an/a 8.70E+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))
BDBM44263
PNG
(CHEMBL1622024 | MLS-0390980.0001 | cid_25241637 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19?,20-,21-/m0/s1
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n/an/a 460n/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))
BDBM44293
PNG
(MLS-0391028.0001 | cid_44182156 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H38N4O3/c1-16(2)15-21(28-23(30)17(3)26-4)25(32)29-14-8-13-22(29)24(31)27-20-12-7-10-18-9-5-6-11-19(18)20/h5-6,9,11,16-17,20-22,26H,7-8,10,12-15H2,1-4H3,(H,27,31)(H,28,30)/t17-,20?,21-,22-/m0/s1
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n/an/a 1.20E+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))
BDBM44297
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H35N5O4/c1-15(26-2)22(31)28-19(12-13-21(25)30)24(33)29-14-6-11-20(29)23(32)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-20,26H,5-6,8,10-14H2,1-2H3,(H2,25,30)(H,27,32)(H,28,31)/t15-,18?,19-,20-/m0/s1
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n/an/a 850n/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))
BDBM44302
PNG
((2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H41N7O3/c1-15(2)21(32-22(33)16(3)28-4)24(35)31-20(13-8-14-29-25(26)27)23(34)30-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,28H,7-8,10,12-14H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)(H4,26,27,29)/t16-,19?,20-,21-/m0/s1
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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))
BDBM44325
PNG
(MLS-0412167.0001 | cid_44182243 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H36N4O4/c1-13(2)19(26-21(29)14(3)24-5)22(30)27-20(15(4)28)23(31)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-20,24,28H,8,10,12H2,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t14-,15?,18?,19-,20-/m0/s1
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n/an/a 4.30E+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))
BDBM44330
PNG
(MLS-0412179.0001 | cid_44182253 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C22H34N4O4/c1-13(2)19(26-20(28)14(3)23-4)22(30)25-18(12-27)21(29)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,13-14,17-19,23,27H,7,9,11-12H2,1-4H3,(H,24,29)(H,25,30)(H,26,28)/t14-,17?,18-,19-/m0/s1
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n/an/a 5.40E+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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM165
PNG
(MLS002460463 | SMR001382680 | cid_44143239 | formi...)
Show SMILES CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44325
PNG
(MLS-0412167.0001 | cid_44182243 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H36N4O4/c1-13(2)19(26-21(29)14(3)24-5)22(30)27-20(15(4)28)23(31)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-20,24,28H,8,10,12H2,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t14-,15?,18?,19-,20-/m0/s1
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n/an/a 1.34E+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))
BDBM44302
PNG
((2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H41N7O3/c1-15(2)21(32-22(33)16(3)28-4)24(35)31-20(13-8-14-29-25(26)27)23(34)30-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,28H,7-8,10,12-14H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)(H4,26,27,29)/t16-,19?,20-,21-/m0/s1
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n/an/a 7.20E+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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44297
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H35N5O4/c1-15(26-2)22(31)28-19(12-13-21(25)30)24(33)29-14-6-11-20(29)23(32)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-20,26H,5-6,8,10-14H2,1-2H3,(H2,25,30)(H,27,32)(H,28,31)/t15-,18?,19-,20-/m0/s1
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n/an/a 6.80E+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/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44293
PNG
(MLS-0391028.0001 | cid_44182156 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H38N4O3/c1-16(2)15-21(28-23(30)17(3)26-4)25(32)29-14-8-13-22(29)24(31)27-20-12-7-10-18-9-5-6-11-19(18)20/h5-6,9,11,16-17,20-22,26H,7-8,10,12-15H2,1-4H3,(H,27,31)(H,28,30)/t17-,20?,21-,22-/m0/s1
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n/an/a 1.19E+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))
BDBM44263
PNG
(CHEMBL1622024 | MLS-0390980.0001 | cid_25241637 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19?,20-,21-/m0/s1
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n/an/a 4.20E+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
XIAP-BIR3


(Homo sapiens (Human))
BDBM13180
PNG
((2S)-1-[(2S)-3,3-dimethyl-2-[(2R)-2-(methylamino)p...)
Show SMILES CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20+,21-/m1/s1
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n/an/an/a>1.00E+3n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...


J Med Chem 47: 4417-26 (2004)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q27M065Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
XIAP-BIR3


(Homo sapiens (Human))
BDBM13179
PNG
((2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(dimethylamino...)
Show SMILES C[C@H](N(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C28H42N4O3/c1-19(31(2)3)26(33)30-25(21-12-5-4-6-13-21)28(35)32-18-10-17-24(32)27(34)29-23-16-9-14-20-11-7-8-15-22(20)23/h7-8,11,15,19,21,23-25H,4-6,9-10,12-14,16-18H2,1-3H3,(H,29,34)(H,30,33)/t19-,23+,24-,25-/m0/s1
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n/an/an/a>1.00E+3n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...


J Med Chem 47: 4417-26 (2004)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q27M065Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
XIAP-BIR3


(Homo sapiens (Human))
BDBM13177
PNG
((2S)-1-[(2S)-2-[(2S)-2-(dimethylamino)propanamido]...)
Show SMILES C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C26H40N4O3/c1-17(29(5)6)23(31)28-22(26(2,3)4)25(33)30-16-10-15-21(30)24(32)27-20-14-9-12-18-11-7-8-13-19(18)20/h7-8,11,13,17,20-22H,9-10,12,14-16H2,1-6H3,(H,27,32)(H,28,31)/t17-,20+,21-,22+/m0/s1
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n/an/an/a>1.00E+3n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...


J Med Chem 47: 4417-26 (2004)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q27M065Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
XIAP-BIR3


(Homo sapiens (Human))
BDBM13175
PNG
((2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)p...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C27H40N4O3/c1-18(28-2)25(32)30-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)29-22-15-8-13-19-10-6-7-14-21(19)22/h6-7,10,14,18,20,22-24,28H,3-5,8-9,11-13,15-17H2,1-2H3,(H,29,33)(H,30,32)/t18-,22+,23-,24-/m0/s1
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n/an/an/a 16n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...


J Med Chem 47: 4417-26 (2004)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q27M065Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
XIAP-BIR3


(Homo sapiens (Human))
BDBM13166
PNG
((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1
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n/an/an/a 12n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...


J Med Chem 47: 4417-26 (2004)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q27M065Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
XIAP-BIR3


(Homo sapiens (Human))
BDBM13167
PNG
((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20-,21+/m0/s1
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n/an/an/a 706n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...


J Med Chem 47: 4417-26 (2004)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q27M065Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)