BDBM303314 2-amino-8-fluoro-N-[(6- methoxy-3-methyl-2- pyridyl)methyl]quinazoline- 4-carboxamide::US10138212, Example 77

SMILES: COc1ccc(C)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1

InChI Key: InChIKey=RMFOGOQJELCEON-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 = 303314   

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))	BDBM303314 (2-amino-8-fluoro-N-[(6- methoxy-3-methyl-2- pyridy...) Show SMILES COc1ccc(C)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C17H16FN5O2/c1-9-6-7-13(25-2)21-12(9)8-20-16(24)15-10-4-3-5-11(18)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	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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