BDBM50545316 CHEMBL4633630

SMILES Nc1nc(NCC2CCN(CC(=O)NCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1

InChI Key InChIKey=WICPQPFMJZZNCE-UHFFFAOYSA-N

Data  3 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 = 50545316   

TargetAdenosine receptor A2a(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50545316(CHEMBL4633630)
Affinity DataKi:  57nMAssay Description:Displacement of [3H]ZM241383 from human A2AR expressed in CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50545316(CHEMBL4633630)
Affinity DataIC50: 146nMAssay Description:Inhibition of human A2B receptor expressed in CHO cells assessed as reduction in cAMP productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50545316(CHEMBL4633630)
Affinity DataKi:  687nMAssay Description:Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50545316(CHEMBL4633630)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]AB-MEGA from human A3R expressed in CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
Target5'-nucleotidase(Human)
Wenzhou Medical University Lishui Hospital

Curated by ChEMBL
LigandPNGBDBM50545316(CHEMBL4633630)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CD73 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed