BDBM50604945 CHEMBL5188801

SMILES Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)n3)c2n1

InChI Key InChIKey=RQDWUHDIGLJGCG-UHFFFAOYSA-N

Data  4 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 5 hits for monomerid = 50604945   

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604945(CHEMBL5188801)
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
LigandPNGBDBM50604945(CHEMBL5188801)
Affinity DataIC50: 23nMAssay 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 A1(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604945(CHEMBL5188801)
Affinity DataKi:  641nMAssay Description:Displacement of [3H]DPCPX from human A1AR 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
TargetAdenosine receptor A2b(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604945(CHEMBL5188801)
Affinity DataKi:  2.50E+3nMAssay Description:Displacement of [3H]DPCPX from human A2BAR 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
TargetAdenosine receptor A3(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50604945(CHEMBL5188801)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]HEMADO from human A3AR 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