BDBM10281 4-(1,3,4-Trioxo-1,2,3,4-tetrahydro-isoquinolin-6-ylcarbamoyl)-butyric acid::4-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)carbamoyl]butanoic acid::Isoquinoline-1,3,4-trione 12b

SMILES: OC(=O)CCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1

InChI Key: InChIKey=NQOZIQMUUGZUIG-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 = 10281   

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))	BDBM10281 (4-(1,3,4-Trioxo-1,2,3,4-tetrahydro-isoquinolin-6-y...) Show SMILES OC(=O)CCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C14H12N2O6/c17-10(2-1-3-11(18)19)15-7-4-5-8-9(6-7)12(20)14(22)16-13(8)21/h4-6H,1-3H2,(H,15,17)(H,18,19)(H,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	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