BDBM50431097 CHEMBL2332039

SMILES CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O

InChI Key InChIKey=IXDTWYVAYLILOL-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50431097   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Sirtris A Gsk

Curated by ChEMBL
LigandPNGBDBM50431097(CHEMBL2332039)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human ERG by dofetilide binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Sirtris A Gsk

Curated by ChEMBL
LigandPNGBDBM50431097(CHEMBL2332039)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Sirtris A Gsk

Curated by ChEMBL
LigandPNGBDBM50431097(CHEMBL2332039)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacetylase sirtuin-3, mitochondrial(Homo sapiens (Human))
Sirtris A Gsk

Curated by ChEMBL
LigandPNGBDBM50431097(CHEMBL2332039)
Affinity DataIC50:  4nMAssay Description:Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...More data for this Ligand-Target Pair