BDBM10276 Isoquinoline-1,3,4-trione 9i::Methyl 3-(1, 2, 3, 4-tetrahydro-1, 3, 4-trioxoisoquinolin-6-ylcarbamoyl)-5-nitro-benzoate::methyl 3-nitro-5-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)carbamoyl]benzoate

SMILES: COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1

InChI Key: InChIKey=DWZRFNSBEJCUGQ-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 = 10276   

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))	BDBM10276 (Isoquinoline-1,3,4-trione 9i | Methyl 3-(1, 2, 3, ...) Show SMILES COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C18H11N3O8/c1-29-18(26)9-4-8(5-11(6-9)21(27)28)15(23)19-10-2-3-12-13(7-10)14(22)17(25)20-16(12)24/h2-7H,1H3,(H,19,23)(H,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	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