BDBM50548096 CHEMBL4754809

SMILES CCOC(=O)C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(=O)OCC

InChI Key InChIKey=XKHWMHNUWYFWPL-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50548096   

TargetAdenosine receptor A3(Human)
Universit�

Curated by ChEMBL
LigandPNGBDBM50548096(CHEMBL4754809)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Universit�

Curated by ChEMBL
LigandPNGBDBM50548096(CHEMBL4754809)
Affinity DataKi:  445nMAssay Description:Displacement of [3H]-NECA from human A2A receptor expressed in CHO cell membrane by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Universit�

Curated by ChEMBL
LigandPNGBDBM50548096(CHEMBL4754809)
Affinity DataKi:  552nMAssay Description:Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Universit�

Curated by ChEMBL
LigandPNGBDBM50548096(CHEMBL4754809)
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity at human A2B receptor expressed in CHO cell membrane assessed as reduction in NECA-stimulated adenylyl cyclase activity in presen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed