BDBM303145 2-amino-8-methoxy-N- [[6-(2,2,2-trifluoro-1- hydroxy-1-methyl-ethyl)- 2- pyridyl]methyl]quinazoline-4- carboxamide (+ or -)::US10138212, Example 3

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

InChI Key: InChIKey=LONMATKAFHVAFY-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 = 303145   

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))	BDBM303145 (2-amino-8-methoxy-N- [[6-(2,2,2-trifluoro-1- hydro...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)(O)C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C19H18F3N5O3/c1-18(29,19(20,21)22)13-8-3-5-10(25-13)9-24-16(28)15-11-6-4-7-12(30-2)14(11)26-17(23)27-15/h3-8,29H,9H2,1-2H3,(H,24,28)(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	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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