BDBM50505388 CHEMBL4586743

SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1

InChI Key InChIKey=GNROHNFPJCPGCQ-UHFFFAOYSA-N

Data  4 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 6 hits for monomerid = 50505388   

TargetAdenosine receptor A2a(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50505388(CHEMBL4586743)
Affinity DataKi:  55nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50505388(CHEMBL4586743)
Affinity DataKi:  86nMAssay Description:Displacement of [3H]NECA from rat adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50505388(CHEMBL4586743)
Affinity DataIC50: 263nMAssay Description:Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity by Glo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50505388(CHEMBL4586743)
Affinity DataKi: >3.00E+4nMAssay Description:Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes by radioligand competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50505388(CHEMBL4586743)
Affinity DataKi: >3.00E+4nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes by radioligand competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50505388(CHEMBL4586743)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity by Glo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed