BDBM50393505 CHEMBL2158051::WO2008128171, Compound SM-406

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C

InChI Key InChIKey=LSXUTRRVVSPWDZ-UHFFFAOYSA-N

Data  7 KI  16 IC50  1 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50393505   

TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 22nMAssay Description:Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKd:  9.00E+3nMAssay Description:Binding affinity to N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 42nMAssay Description:Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 34nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 35nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 133nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 133nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 48nMAssay Description:Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 48nMAssay Description:Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 42nMAssay Description:Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 34nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 35nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 44nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 44nMAssay Description:Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataEC50:  34nMAssay Description:Antagonist activity at full-length FLAG-tagged XIAP (unknown origin) transfected in HEK293 cells assessed as inhibition of interaction with caspase 9...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2016
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 225nMAssay Description:Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataIC50: 12nMAssay Description:Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  1.90nMAssay Description:Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2 [254-364](Human)
Nanjing China-Australia Institute of Translational Medicine

US Patent
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  2.30nMAssay Description:The binding affinity of the compounds provided by the present invention to IAP proteins was determined using a fluorescence polarization method (Niko...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2025
Entry Details
Go to US Patent

TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  5.10nMAssay Description:Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3 [236-342](Human)
Nanjing China-Australia Institute of Translational Medicine

US Patent
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  5.80nMAssay Description:The binding affinity of the compounds provided by the present invention to IAP proteins was determined using a fluorescence polarization method (Niko...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2025
Entry Details
Go to US Patent

TargetE3 ubiquitin-protein ligase XIAP [238-358](Human)
Nanjing China-Australia Institute of Translational Medicine

US Patent
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  25.2nMAssay Description:The binding affinity of the compounds provided by the present invention to IAP proteins was determined using a fluorescence polarization method (Niko...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2025
Entry Details
Go to US Patent

TargetE3 ubiquitin-protein ligase XIAP(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  66nMAssay Description:Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50393505(CHEMBL2158051 | WO2008128171, Compound SM-406)
Affinity DataKi:  1.35E+4nMAssay Description:Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed