BDBM303315 2-amino-8-fluoro-N-[(6- isoppropoxy-2- pyridyl)methyl]quinazoline- 4-carboxamide::US10138212, Example 78

SMILES: CC(C)Oc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1

InChI Key: InChIKey=RIARDWCERDHTRL-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 = 303315   

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))	BDBM303315 (2-amino-8-fluoro-N-[(6- isoppropoxy-2- pyridyl)met...) Show SMILES CC(C)Oc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C18H18FN5O2/c1-10(2)26-14-8-3-5-11(22-14)9-21-17(25)16-12-6-4-7-13(19)15(12)23-18(20)24-16/h3-8,10H,9H2,1-2H3,(H,21,25)(H2,20,23,24)	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	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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