BDBM50158768 CHEMBL367773::tert-butyl 4-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamino)-4-oxobutylcarbamate::{3-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylcarbamoyl]-propyl}-carbamic acid tert-butyl ester

SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)CCCNC(=O)OC(C)(C)C)n1nc(nc21)-c1ccco1

InChI Key InChIKey=KPOHELAVENUFLP-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50158768   

TargetAdenosine receptor A2a(Human)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50158768(tert-butyl 4-(2-(furan-2-yl)-8-isopentyl-8H-pyrazo...)
Affinity DataKi:  297nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50158768(tert-butyl 4-(2-(furan-2-yl)-8-isopentyl-8H-pyrazo...)
Affinity DataKi:  2.49E+3nMAssay Description:Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50158768(tert-butyl 4-(2-(furan-2-yl)-8-isopentyl-8H-pyrazo...)
Affinity DataKi:  2.49E+3nMAssay Description:Binding affinity for human adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50158768(tert-butyl 4-(2-(furan-2-yl)-8-isopentyl-8H-pyrazo...)
Affinity DataKi:  2.51E+6nMAssay Description:Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed