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BDBM333453 US9737525, Compound MIND4

SMILES: [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12

InChI Key: InChIKey=RVYWJVIYWKCDEE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 333453   
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))
BDBM333453
PNG
(US9737525, Compound MIND4)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+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
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333453
PNG
(US9737525, Compound MIND4)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+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