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BDBM333456 US9737525, Compound MIND4-12

SMILES: C(Oc1cccc2cccnc12)c1nnc(SCc2ccccc2)n1-c1ccccc1

InChI Key: InChIKey=SJIKJSYQYXMYOQ-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 = 333456   
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))
BDBM333456
PNG
(US9737525, Compound MIND4-12)
Show SMILES C(Oc1cccc2cccnc12)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C25H20N4OS/c1-3-9-19(10-4-1)18-31-25-28-27-23(29(25)21-13-5-2-6-14-21)17-30-22-15-7-11-20-12-8-16-26-24(20)22/h1-16H,17-18H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair