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BDBM10289 Isoquinoline-1,3,4-trione 13h::N-(3-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide::N-(3-methoxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide

SMILES: COc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1

InChI Key: InChIKey=OTSSFDPOZPHLHY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10289   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-3


(Homo sapiens (Human))
BDBM10289
PNG
(Isoquinoline-1,3,4-trione 13h | N-(3-Methoxy-pheny...)
Show SMILES COc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
Show InChI InChI=1S/C20H17N3O6/c1-29-13-4-2-3-11(9-13)21-16(24)7-8-17(25)22-12-5-6-14-15(10-12)18(26)20(28)23-19(14)27/h2-6,9-10H,7-8H2,1H3,(H,21,24)(H,22,25)(H,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/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