BDBM50441356 CHEMBL2431768

SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1

InChI Key InChIKey=UFPFGVNKHCLJJO-SSKFGXFMSA-N

Data  28 IC50  3 Kd  3 EC50

PDB links: 1 PDB ID matches this monomer.

  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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50441356   

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  1.04E+3nMAssay Description:Inhibition of XIAP BIR2 domain (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  17nMAssay Description:Antagonist activity at N-terminal His-tagged cIAP2-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated pept...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  30nMAssay Description:Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  1.05E+3nMAssay Description:Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataEC50:  283nMAssay Description:Inhibition of GST-tagged full length XIAP (unknown origin) assessed as caspase 3/7 reactivation in S-100 cell extract after 4 hrs by fluorescence ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataEC50:  0.400nMAssay Description:Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataEC50:  35nMAssay Description:Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  0.400nMAssay Description:Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  35nMAssay Description:Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  48nMAssay Description:Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  53nMAssay Description:Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataKd:  13nMAssay Description:Binding affinity to cIAP2-BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataKd:  10nMAssay Description:Binding affinity to cIAP1-BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataKd:  53nMAssay Description:Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  11nMAssay 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 DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  19nMAssay 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 DepthDetails ArticlePubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  19nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  40nMAssay 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 DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  19nMAssay 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 DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  11nMAssay 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 DepthDetails ArticlePubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  19nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  40nMAssay 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 DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  50nMAssay 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 DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  50nMAssay 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 DepthDetails ArticlePubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  21nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  21nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBaculoviral IAP repeat-containing protein 7(Human)
University of California Riverside

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  9nMAssay Description:Antagonist activity at N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues) (unknown origin) expressed in Escherichia coli BL21 usi...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  37nMAssay Description:Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKS...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  22nMAssay Description:Antagonist activity at N-terminal His-tagged cIAP1-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated pept...More data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  17nMAssay Description:Antagonist activity at N-terminal His-tagged cIAP2-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated pept...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetBaculoviral IAP repeat-containing protein 7(Human)
University of California Riverside

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  15nMAssay Description:Antagonist activity at N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues)(unknown origin) expressed in Escherichia coli BL21 usin...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  49nMAssay Description:Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKS...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetBaculoviral IAP repeat-containing protein 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  16nMAssay Description:Antagonist activity at N-terminal His-tagged cIAP1-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated pept...More data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441356(CHEMBL2431768)
Affinity DataIC50:  30nMAssay Description:Inhibition of XIAP BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed