BDBM50604950 CHEMBL5204735

SMILES Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccc(N)c(OCCCCCCC(=O)NO)c3)ncc12

InChI Key InChIKey=AURVZVCNNNFNKZ-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 = 50604950   

TargetHistone deacetylase 1(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604950(CHEMBL5204735)
Affinity DataIC50: 45nMAssay 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
TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604950(CHEMBL5204735)
Affinity DataKi:  74nMAssay 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