BDBM50545313 CHEMBL4644153

SMILES Nc1nc(nc2sc(nc12)-c1ccco1)N1CCN(CC1)c1ccc(cc1)S(N)(=O)=O

InChI Key InChIKey=UKAIQCQVGWACLI-UHFFFAOYSA-N

Data  3 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50545313   

TargetAdenosine receptor A2a(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50545313(CHEMBL4644153)
Affinity DataKi:  5.70nMAssay 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
LigandPNGBDBM50545313(CHEMBL4644153)
Affinity DataIC50: 58nMAssay Description:Inverse agonist activity at human A2B receptor expressed in CHO cells assessed as reduction in cAMP levelMore 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
LigandPNGBDBM50545313(CHEMBL4644153)
Affinity DataKi:  387nMAssay 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
LigandPNGBDBM50545313(CHEMBL4644153)
Affinity DataKi:  582nMAssay 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
TargetAdenosine receptor A2b(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50545313(CHEMBL4644153)
Affinity DataIC50: 1.00E+4nMAssay 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