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SMILES: COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O

InChI Key: InChIKey=VEKSDEIRAJKHPH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248575   

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))	BDBM50248575 (7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...) Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-8-4-7-17(12-18)33-23-22(14-30-24(31-23)29-13-16-6-2-3-11-28-16)32(25(33)34)15-19-20(26)9-5-10-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 1399-402 (2009) Article DOI: 10.1016/j.bmcl.2009.01.042 BindingDB Entry DOI: 10.7270/Q26973F9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50248575 (7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...) Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-8-4-7-17(12-18)33-23-22(14-30-24(31-23)29-13-16-6-2-3-11-28-16)32(25(33)34)15-19-20(26)9-5-10-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 1399-402 (2009) Article DOI: 10.1016/j.bmcl.2009.01.042 BindingDB Entry DOI: 10.7270/Q26973F9
					More data for this Ligand-Target Pair