BDBM303344 2-amino-N-[dideuterio- [6-[dideuterio-[3-(2- methoxyethoxy)phenyl] methyl]-2- pyridyl]methyl]-8- methoxy-quinazoline- 4-carboxamide::US10138212, Example 106

SMILES: [2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(n1)C([2H])([2H])c1cccc(OCCOC)c1

InChI Key: InChIKey=INSYQOJDVWNXNK-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 = 303344   

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))	BDBM303344 (2-amino-N-[dideuterio- [6-[dideuterio-[3-(2- metho...) Show SMILES [2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(n1)C([2H])([2H])c1cccc(OCCOC)c1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H27N5O4/c1-33-12-13-35-20-9-3-6-17(15-20)14-18-7-4-8-19(29-18)16-28-25(32)24-21-10-5-11-22(34-2)23(21)30-26(27)31-24/h3-11,15H,12-14,16H2,1-2H3,(H,28,32)(H2,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	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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