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BDBM333455 US9737525, Compound MIND4-11

SMILES: C(Oc1cccc2ccccc12)c1nnc(SCc2ccccc2)n1-c1ccccc1

InChI Key: InChIKey=LEDFCRCFWZPAOY-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 = 333455   
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))
BDBM333455
PNG
(US9737525, Compound MIND4-11)
Show SMILES C(Oc1cccc2ccccc12)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C26H21N3OS/c1-3-10-20(11-4-1)19-31-26-28-27-25(29(26)22-14-5-2-6-15-22)18-30-24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.50E+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))
BDBM333455
PNG
(US9737525, Compound MIND4-11)
Show SMILES C(Oc1cccc2ccccc12)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C26H21N3OS/c1-3-10-20(11-4-1)19-31-26-28-27-25(29(26)22-14-5-2-6-15-22)18-30-24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.50E+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