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8 similar compounds to monomer 44272

Compile data set for download or QSAR
Wt: 425.5
BDBM44335
Wt: 439.5
BDBM44337
Wt: 428.4
BDBM44342
Wt: 425.5
BDBM44334
Wt: 439.5
BDBM44333
Wt: 413.5
BDBM44284
Wt: 439.5
BDBM44341
Wt: 425.5
BDBM44277

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 44335,44337,44342,44334,44333,44284,44341,44277   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44284
PNG
((2S)-N-(1H-indol-5-yl)-1-[(2S)-3-methyl-2-[[(2S)-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H31N5O3/c1-13(2)19(26-20(28)14(3)23-4)22(30)27-11-5-6-18(27)21(29)25-16-7-8-17-15(12-16)9-10-24-17/h7-10,12-14,18-19,23-24H,5-6,11H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-,19-/m0/s1
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740n/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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
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1.29E+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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
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1.50E+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))
BDBM44335
PNG
((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-9-19(28)22(30)26-18-8-5-7-16-13-25-11-10-17(16)18/h5,7-8,10-11,13-15,19-20,24H,6,9,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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2.55E+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))
BDBM44341
PNG
(CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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4.94E+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))
BDBM44284
PNG
((2S)-N-(1H-indol-5-yl)-1-[(2S)-3-methyl-2-[[(2S)-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H31N5O3/c1-13(2)19(26-20(28)14(3)23-4)22(30)27-11-5-6-18(27)21(29)25-16-7-8-17-15(12-16)9-10-24-17/h7-10,12-14,18-19,23-24H,5-6,11H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-,19-/m0/s1
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5.50E+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))
BDBM44277
PNG
(CHEMBL1621840 | MLS-0391014.0001 | cid_25241679 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-8-19(28)22(30)26-17-9-10-18-16(13-17)7-5-11-25-18/h5,7,9-11,13-15,19-20,24H,6,8,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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6.07E+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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44334
PNG
(CHEMBL1622682 | MLS-0391030.0001 | cid_44182261 | ...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C23H31N5O3/c1-5-17(26-21(29)15(3)24-4)23(31)28-13-7-9-19(28)22(30)27-20-14(2)10-11-18-16(20)8-6-12-25-18/h6,8,10-12,15,17,19,24H,5,7,9,13H2,1-4H3,(H,26,29)(H,27,30)/t15-,17-,19-/m0/s1
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7.20E+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))
BDBM44341
PNG
(CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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1.38E+4n/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))
BDBM44335
PNG
((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-9-19(28)22(30)26-18-8-5-7-16-13-25-11-10-17(16)18/h5,7-8,10-11,13-15,19-20,24H,6,9,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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1.62E+4n/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))
BDBM44277
PNG
(CHEMBL1621840 | MLS-0391014.0001 | cid_25241679 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-8-19(28)22(30)26-17-9-10-18-16(13-17)7-5-11-25-18/h5,7,9-11,13-15,19-20,24H,6,8,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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3.71E+4n/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))
BDBM44334
PNG
(CHEMBL1622682 | MLS-0391030.0001 | cid_44182261 | ...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C23H31N5O3/c1-5-17(26-21(29)15(3)24-4)23(31)28-13-7-9-19(28)22(30)27-20-14(2)10-11-18-16(20)8-6-12-25-18/h6,8,10-12,15,17,19,24H,5,7,9,13H2,1-4H3,(H,26,29)(H,27,30)/t15-,17-,19-/m0/s1
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5.61E+4n/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))
BDBM44337
PNG
(MLS-0391033.0001 | cid_44182267 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)20(27-22(30)16(4)25-5)24(32)29-13-7-9-19(29)23(31)28-21-15(3)10-11-18-17(21)8-6-12-26-18/h6,8,10-12,14,16,19-20,25H,7,9,13H2,1-5H3,(H,27,30)(H,28,31)/t16-,19-,20-/m0/s1
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n/an/a 1.38E+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))
BDBM44341
PNG
(CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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n/an/a 3.54E+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))
BDBM44335
PNG
((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-9-19(28)22(30)26-18-8-5-7-16-13-25-11-10-17(16)18/h5,7-8,10-11,13-15,19-20,24H,6,9,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 4.16E+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))
BDBM44334
PNG
(CHEMBL1622682 | MLS-0391030.0001 | cid_44182261 | ...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C23H31N5O3/c1-5-17(26-21(29)15(3)24-4)23(31)28-13-7-9-19(28)22(30)27-20-14(2)10-11-18-16(20)8-6-12-25-18/h6,8,10-12,15,17,19,24H,5,7,9,13H2,1-4H3,(H,26,29)(H,27,30)/t15-,17-,19-/m0/s1
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n/an/a 1.44E+5n/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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
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n/an/a 4.00E+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))
BDBM44284
PNG
((2S)-N-(1H-indol-5-yl)-1-[(2S)-3-methyl-2-[[(2S)-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H31N5O3/c1-13(2)19(26-20(28)14(3)23-4)22(30)27-11-5-6-18(27)21(29)25-16-7-8-17-15(12-16)9-10-24-17/h7-10,12-14,18-19,23-24H,5-6,11H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-,19-/m0/s1
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n/an/a 1.43E+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))
BDBM44277
PNG
(CHEMBL1621840 | MLS-0391014.0001 | cid_25241679 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-8-19(28)22(30)26-17-9-10-18-16(13-17)7-5-11-25-18/h5,7,9-11,13-15,19-20,24H,6,8,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 9.49E+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))
BDBM44342
PNG
(MLS-0391063.0001 | cid_44182279 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C21H28N6O4/c1-12(23-3)19(29)27-17(9-10-18(22)28)21(31)25-13(2)20(30)26-16-8-4-7-15-14(16)6-5-11-24-15/h4-8,11-13,17,23H,9-10H2,1-3H3,(H2,22,28)(H,25,31)(H,26,30)(H,27,29)/t12-,13-,17-/m0/s1
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n/an/a 2.41E+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))
BDBM44341
PNG
(CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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n/an/a 9.40E+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/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44337
PNG
(MLS-0391033.0001 | cid_44182267 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)20(27-22(30)16(4)25-5)24(32)29-13-7-9-19(29)23(31)28-21-15(3)10-11-18-17(21)8-6-12-26-18/h6,8,10-12,14,16,19-20,25H,7,9,13H2,1-5H3,(H,27,30)(H,28,31)/t16-,19-,20-/m0/s1
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n/an/a 9.40E+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/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44335
PNG
((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-9-19(28)22(30)26-18-8-5-7-16-13-25-11-10-17(16)18/h5,7-8,10-11,13-15,19-20,24H,6,9,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 5.20E+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))
BDBM44334
PNG
(CHEMBL1622682 | MLS-0391030.0001 | cid_44182261 | ...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C23H31N5O3/c1-5-17(26-21(29)15(3)24-4)23(31)28-13-7-9-19(28)22(30)27-20-14(2)10-11-18-16(20)8-6-12-25-18/h6,8,10-12,15,17,19,24H,5,7,9,13H2,1-4H3,(H,26,29)(H,27,30)/t15-,17-,19-/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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
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n/an/a 2.90E+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))
BDBM44277
PNG
(CHEMBL1621840 | MLS-0391014.0001 | cid_25241679 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-8-19(28)22(30)26-17-9-10-18-16(13-17)7-5-11-25-18/h5,7,9-11,13-15,19-20,24H,6,8,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 1.14E+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))
BDBM44284
PNG
((2S)-N-(1H-indol-5-yl)-1-[(2S)-3-methyl-2-[[(2S)-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H31N5O3/c1-13(2)19(26-20(28)14(3)23-4)22(30)27-11-5-6-18(27)21(29)25-16-7-8-17-15(12-16)9-10-24-17/h7-10,12-14,18-19,23-24H,5-6,11H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-,19-/m0/s1
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n/an/a 2.00E+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