BDBM10282 Isoquinoline-1,3,4-trione 13a::N-Propyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide::N-propyl-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide

SMILES: CCCNC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1

InChI Key: InChIKey=ZHRVSZKDLXIFPF-UHFFFAOYSA-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 = 10282   

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))	BDBM10282 (Isoquinoline-1,3,4-trione 13a | N-Propyl-N-(1,3,4-...) Show SMILES CCCNC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C16H17N3O5/c1-2-7-17-12(20)5-6-13(21)18-9-3-4-10-11(8-9)14(22)16(24)19-15(10)23/h3-4,8H,2,5-7H2,1H3,(H,17,20)(H,18,21)(H,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair