BDBM303235 2-amino-8-methoxy-N- [[6-(2-pyridyl)-2- pyridyl]methyl] quinazoline-4- carboxamide::US10138212, Example 10

SMILES: COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)-c1ccccn1

InChI Key: InChIKey=HQAKYJIASAEKHF-UHFFFAOYSA-N

Data: 1 KI

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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 = 303235   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303235 (2-amino-8-methoxy-N- [[6-(2-pyridyl)-2- pyridyl]me...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)-c1ccccn1 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$| Show InChI InChI=1S/C21H18N6O2/c1-29-17-10-5-7-14-18(17)26-21(22)27-19(14)20(28)24-12-13-6-4-9-16(25-13)15-8-2-3-11-23-15/h2-11H,12H2,1H3,(H,24,28)(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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