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BDBM333461 US9737525, Compound MIND4-23

SMILES: COc1ccc(CSc2nnc(COc3cccc4ccccc34)n2Cc2ccccc2)cc1

InChI Key: InChIKey=ANOCUNNDQFDBLX-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 = 333461   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333461
PNG
(US9737525, Compound MIND4-23)
Show SMILES COc1ccc(CSc2nnc(COc3cccc4ccccc34)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C28H25N3O2S/c1-32-24-16-14-22(15-17-24)20-34-28-30-29-27(31(28)18-21-8-3-2-4-9-21)19-33-26-13-7-11-23-10-5-6-12-25(23)26/h2-17H,18-20H2,1H3
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 9.00E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair