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BDBM303280 2-amino-N-[[6-[(4- fluorophenoxy)methyl]- 2-pyridyl]methyl]-8- methoxy-quinazoline-4- carboxamide::US10138212, Example 45

SMILES: COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COc2ccc(F)cc2)n1

InChI Key: InChIKey=IDDCTUDFRLJCRE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303280   
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))
BDBM303280
PNG
(2-amino-N-[[6-[(4- fluorophenoxy)methyl]- 2-pyridy...)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COc2ccc(F)cc2)n1 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C23H20FN5O3/c1-31-19-7-3-6-18-20(19)28-23(25)29-21(18)22(30)26-12-15-4-2-5-16(27-15)13-32-17-10-8-14(24)9-11-17/h2-11H,12-13H2,1H3,(H,26,30)(H2,25,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.300n/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