BDBM50199769 (S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10-dioxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxamido)-4-oxobutanoic acid::(S)-3-((4S,7S)-7-(isoquinoline-1-carboxamido)-6,10-dioxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxamido)-4-oxobutanoic acid::CHEMBL437105

SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O

InChI Key InChIKey=CUVNEENHHCPUBW-SZMVWBNQSA-N

Data  2 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50199769   

TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50199769((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Mus musculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50199769((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)
Affinity DataKi:  7nMAssay Description:Inhibition of mouse ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50199769((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)
Affinity DataIC50:  670nMAssay Description:Inhibition of caspase-1 in LPS stimulated human PMBC cells after 2 hrs by ELISA analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50199769((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of caspase 1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50199769((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50199769((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)
Affinity DataIC50:  4nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed