BDBM50604949 CHEMBL5195323

SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)cc1OCCCCCCC(=O)NO

InChI Key InChIKey=NJQFOUVHOGXLPQ-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50604949   

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604949(CHEMBL5195323)
Affinity DataKi:  15nMAssay Description:Displacement of [3H]SCH5826 from human A2AAR incubated for 60 mins by scintillation counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604949(CHEMBL5195323)
Affinity DataIC50: 37nMAssay Description:Inhibition of HDAC1 (unknown origin) using trypsin and LGK(Ac)-AMC as substrates incubated for 1 hr and measured by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed