BDBM303350 2-amino-8-fluoro-N- [[6-(4-pyridylmethyl)- 2-pyridyl] methyl]quinazoline- 4-carboxamide::US10138212, Example 112

SMILES: Nc1nc(C(=O)NCc2cccc(Cc3ccncc3)n2)c2cccc(F)c2n1

InChI Key: InChIKey=BGEZILNDGFFCAU-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 = 303350   

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))	BDBM303350 (2-amino-8-fluoro-N- [[6-(4-pyridylmethyl)- 2-pyrid...) Show SMILES Nc1nc(C(=O)NCc2cccc(Cc3ccncc3)n2)c2cccc(F)c2n1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C21H17FN6O/c22-17-6-2-5-16-18(17)27-21(23)28-19(16)20(29)25-12-15-4-1-3-14(26-15)11-13-7-9-24-10-8-13/h1-10H,11-12H2,(H,25,29)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	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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