BDBM50200935 (3S)-3-[(2S)-6-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)hexanamido]-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carboxybutanamido]hexanamido]-5-[(2,6-dimethylphenyl)carbonyloxy]-4-oxopentanoic acid::CHEMBL412992

SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=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=ZWJYYJCCRITGRK-DNTIRSCXSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200935   

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

Curated by ChEMBL
LigandPNGBDBM50200935((3S)-3-[(2S)-6-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahy...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed