BindingDB logo
myBDB logout

BDBM50457095 CHEMBL4212740

SMILES: COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1

InChI Key: InChIKey=YGFPIHVPJZOXLU-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 = 50457095   
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))		BDBM50457095
PNG
(CHEMBL4212740)
Show SMILES COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
Show InChI InChI=1S/C26H30FN9O4/c1-32-21-23(30-25(28)36-24(21)29-22(31-36)20-4-3-13-39-20)35(26(32)37)12-9-33-7-10-34(11-8-33)17-5-6-19(18(27)16-17)40-15-14-38-2/h3-6,13,16H,7-12,14-15H2,1-2H3,(H2,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.700n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay

ACS Med Chem Lett 8: 835-840 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00175
BindingDB Entry DOI: 10.7270/Q2571FMD
More data for this
Ligand-Target Pair