BDBM10654 (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID::(3S)-5-(benzylsulfanyl)-3-{[(2S,11S)-11-[(3S)-3-acetamido-3-formamidopropanoic acid]-12-oxo-1-azatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-yl]formamido}-4-oxopentanoic acid::5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR::Compound 4

SMILES: CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1

InChI Key: InChIKey=PEECWFLPGAWBQR-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10654   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Human)	BDBM10654 ((3S)-5-(benzylsulfanyl)-3-{[(2S,11S)-11-[(3S)-3-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	37
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