BDBM303284 2-amino-N-[[6- (cyclopentylmethoxy- methyl)-2-pyridyl]methyl]-8- methoxy-quinazoline-4- carboxamide::US10138212, Example 49

SMILES: COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COCC2CCCC2)n1

InChI Key: InChIKey=YJMCNLNSLRPDKQ-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 = 303284   

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))	BDBM303284 (2-amino-N-[[6- (cyclopentylmethoxy- methyl)-2-pyri...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COCC2CCCC2)n1 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C23H27N5O3/c1-30-19-11-5-10-18-20(19)27-23(24)28-21(18)22(29)25-12-16-8-4-9-17(26-16)14-31-13-15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,25,29)(H2,24,27,28)	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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