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BDBM50256363 CHEMBL512337::N7-(cyclopropylmethyl)-2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

SMILES: COCCOc1ccc(cc1)N1CCN(CCN(CC2CC2)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1

InChI Key: InChIKey=DKTSTJQGCYJNIY-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50256363   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50256363
PNG
(CHEMBL512337 | N7-(cyclopropylmethyl)-2-(furan-2-y...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(CC2CC2)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C28H36N8O3/c1-37-17-18-38-23-8-6-22(7-9-23)34-13-10-33(11-14-34)12-15-35(20-21-4-5-21)25-19-26-30-27(24-3-2-16-39-24)32-36(26)28(29)31-25/h2-3,6-9,16,19,21H,4-5,10-15,17-18,20H2,1H3,(H2,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 967-71 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT
More data for this
Ligand-Target Pair