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BDBM50424850 CHEMBL2315467::US9737525, Compound MIND4-19

SMILES: C(Oc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1

InChI Key: InChIKey=SSZGXGUFAAHHAF-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 = 50424850   
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))
BDBM50424850
PNG
(CHEMBL2315467 | US9737525, Compound MIND4-19)
Show SMILES C(Oc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c1-4-10-18(11-5-1)17-27-22-24-23-21(16-26-20-14-8-3-9-15-20)25(22)19-12-6-2-7-13-19/h1-15H,16-17H2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 7.00E+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
Valosin containing protein, p97 subunit


(Homo sapiens (Human))
BDBM50424850
PNG
(CHEMBL2315467 | US9737525, Compound MIND4-19)
Show SMILES C(Oc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c1-4-10-18(11-5-1)17-27-22-24-23-21(16-26-20-14-8-3-9-15-20)25(22)19-12-6-2-7-13-19/h1-15H,16-17H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair