BindingDB logo
myBDB logout

null

SMILES: [2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(n1)C([2H])([2H])c1ccc(nc1)N1CCOCC1

InChI Key: InChIKey=LMPXBXKPYUTLCF-UHFFFAOYSA-N

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 = 303343   
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))		BDBM303343
PNG
(2-amino-N-[dideuterio- [6-[dideuterio-(6- morpholi...)
Show SMILES [2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(n1)C([2H])([2H])c1ccc(nc1)N1CCOCC1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C26H27N7O3/c1-35-21-7-3-6-20-23(21)31-26(27)32-24(20)25(34)29-16-19-5-2-4-18(30-19)14-17-8-9-22(28-15-17)33-10-12-36-13-11-33/h2-9,15H,10-14,16H2,1H3,(H,29,34)(H2,27,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...

US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair