BDBM10286 Isoquinoline-1,3,4-trione 13e::N-Phenyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide::N-phenyl-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide

SMILES: O=C(CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1)Nc1ccccc1

InChI Key: InChIKey=IXISFQRCWARIAK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 10286   

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))	BDBM10286 (Isoquinoline-1,3,4-trione 13e | N-Phenyl-N-(1,3,4-...) Show SMILES O=C(CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1)Nc1ccccc1 Show InChI InChI=1S/C19H15N3O5/c23-15(20-11-4-2-1-3-5-11)8-9-16(24)21-12-6-7-13-14(10-12)17(25)19(27)22-18(13)26/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,26,27)	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	201	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