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SMILES: CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(nc1N)-c1ccn(C)n1)c1cccc(n1)C#N

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 549549   
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))		BDBM549549
PNG
(US11306071, Compound 124)
Show SMILES CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(nc1N)-c1ccn(C)n1)c1cccc(n1)C#N
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
The protocol used adenosine A2a (human) membrane (PerkinElmer RBHA2AM400UA) at a concentration of 5 μg/well/100 μl and the radioligand [3H]...

Citation and Details

BindingDB Entry DOI: 10.7270/Q21J9DZC
More data for this
Ligand-Target Pair