BDBM50200552 CHEMBL3898411

SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F

InChI Key InChIKey=TWGFWBPIHYEITI-UHFFFAOYSA-N

Data  2 KI  3 IC50

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

Found 5 hits for monomerid = 50200552   

TargetCaspase-5(Homo sapiens (Human))
Depaul University

Curated by ChEMBL
LigandPNGBDBM50200552(CHEMBL3898411)
Affinity DataKi:  48nMAssay Description:Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Depaul University

Curated by ChEMBL
LigandPNGBDBM50200552(CHEMBL3898411)
Affinity DataKi:  202nMAssay Description:Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-5(Homo sapiens (Human))
Depaul University

Curated by ChEMBL
LigandPNGBDBM50200552(CHEMBL3898411)
Affinity DataIC50:  210nMAssay Description:Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-4(Homo sapiens (Human))
Depaul University

Curated by ChEMBL
LigandPNGBDBM50200552(CHEMBL3898411)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Depaul University

Curated by ChEMBL
LigandPNGBDBM50200552(CHEMBL3898411)
Affinity DataIC50:  706nMAssay Description:Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed