BindingDB logo
myBDB logout

BDBM50148598 ATL-313::DE-112::EVODENOSON::Evodenoson

SMILES: COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)c3n2)CC1

InChI Key: InChIKey=SQJXTUJMBYVDBB-RQXXJAGISA-N

Data: 1 Kd

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 = 50148598   
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 A2a


(Homo sapiens (Human))		BDBM50148598
PNG
(ATL-313 | DE-112 | EVODENOSON | Evodenoson)
Show SMILES COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)c3n2)CC1 |r|
Show InChI InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 0.700n/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of 2-[2-(4-amino-3-[125I]iodophenyl)ethylamino]adenosine from human recombinant adenosine A2A receptor expressed in HEK293 cells

J Med Chem 59: 788-809 (2016)


BindingDB Entry DOI: 10.7270/Q25M67MM
More data for this
Ligand-Target Pair