BDBM50461493 CHEMBL4227888

SMILES: OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1)C(=O)COc1c(F)c(F)cc(F)c1F

InChI Key: InChIKey=GLDZUTRBMYOCBE-KRWDZBQOSA-N

Data: 1 IC50

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 = 50461493   

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))	BDBM50461493 (CHEMBL4227888) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C26H22F4N2O6S/c27-15-10-16(28)23(30)24(22(15)29)38-12-18(33)17(11-21(34)35)31-25(36)13-5-7-32(8-6-13)26(37)20-9-14-3-1-2-4-19(14)39-20/h1-4,9-10,13,17H,5-8,11-12H2,(H,31,36)(H,34,35)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
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