BDBM50200933 2,6-dimethyl-benzoic acid (S)-3-{(S)-2-((S)-2-benzyloxycarbonylamino-4-carboxy-butyrylamino)-6-[5-((3aS,4S,6aR)-2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoylamino]-hexanoylamino}-4-carboxy-2-oxo-butyl ester::CHEMBL221869

SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1

InChI Key InChIKey=DXRWCYYTXSVDDW-OYTIJHINSA-N

Data  1 KI

  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 1 hit for monomerid = 50200933   

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

Curated by ChEMBL
LigandPNGBDBM50200933(2,6-dimethyl-benzoic acid (S)-3-{(S)-2-((S)-2-benz...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed