BDBM50324948 (R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)ethylamino)butanamido)-3-oxopropanoic acid::CHEMBL1221745

SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key InChIKey=LOKHFJDMBXIUBG-WMZOPIPTSA-N

Data  2 KI  1 IC50

  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 3 hits for monomerid = 50324948   

TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50324948((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)
Affinity DataKi:  1.81nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Mus musculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50324948((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)
Affinity DataKi:  14.4nMAssay Description:Inhibition of mouse ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50324948((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)
Affinity DataIC50:  5.81nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed