BDBM50157539 Ac-Asp-Glu-Val-Asp-CHO::CHEMBL225647

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

InChI Key: InChIKey=YDZWSFCTFNIMCU-YWDSYVAPSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157539   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM50157539 (Ac-Asp-Glu-Val-Asp-CHO | CHEMBL225647) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H28N4O11/c1-8(2)16(19(34)21-10(7-24)4-13(26)27)23-18(33)12(6-15(30)31)22-17(32)11(5-14(28)29)20-9(3)25/h7-8,10-12,16H,4-6H2,1-3H3,(H,20,25)(H,21,34)(H,22,32)(H,23,33)(H,26,27)(H,28,29)(H,30,31)/t10-,11-,12-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human caspase 3 expressed in Escherichia coli				J Med Chem 47: 6455-8 (2004) Article DOI: 10.1021/jm049248f BindingDB Entry DOI: 10.7270/Q2SX6CQ9
					More data for this Ligand-Target Pair