BDBM36363 CID6851947::PAC-1::US10166229, Example PAC-1

SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1

InChI Key InChIKey=YQNRVGJCPCNMKT-LFVJCYFKSA-N

Data  1 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 36363   

TargetCaspase-3(Homo sapiens (Human))
University Of Illinois

LigandPNGBDBM36363(CID6851947 | PAC-1 | US10166229, Example PAC-1)
Affinity DataEC50:  220nMpH: 7.4 T: 2°CAssay Description:Procaspase-3 activation assay; activation of procaspase-3 to caspase-3. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
University Of Illinois

LigandPNGBDBM36363(CID6851947 | PAC-1 | US10166229, Example PAC-1)
Affinity DataEC50:  4.50E+3nMpH: 7.4 T: 2°CAssay Description:Procaspase-7 activation assay; activation of procaspase-7 to caspase-7. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Istituto Di Scienze E Tecnologie Molecolari (Istm)

Curated by ChEMBL
LigandPNGBDBM36363(CID6851947 | PAC-1 | US10166229, Example PAC-1)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Of Illinois

LigandPNGBDBM36363(CID6851947 | PAC-1 | US10166229, Example PAC-1)
Affinity DataEC50:  220nMAssay Description:Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCaspase-3(Homo sapiens (Human))
University Of Illinois

LigandPNGBDBM36363(CID6851947 | PAC-1 | US10166229, Example PAC-1)
Affinity DataEC50:  4.08E+3nMAssay Description:Induction of procaspase 3 activity (unknown origin) using Ac-DEVD-pNa as substrate after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed