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BDBM333458 US9737525, Compound MIND4-20

SMILES: Brc1cccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1

InChI Key: InChIKey=YFMWMAGGDLOMMZ-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 = 333458   
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))
BDBM333458
PNG
(US9737525, Compound MIND4-20)
Show SMILES Brc1cccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1
Show InChI InChI=1S/C22H18BrN3OS/c23-18-9-7-8-17(14-18)16-28-22-25-24-21(15-27-20-12-5-2-6-13-20)26(22)19-10-3-1-4-11-19/h1-14H,15-16H2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.00E+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