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SMILES: COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O

InChI Key: InChIKey=AQEXTJMLDIXPHI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248262   

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))	BDBM50248262 (2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-meth...) Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O Show InChI InChI=1S/C23H23N5O3/c1-30-18-8-5-7-17(12-18)28-21-19(13-24-22(26-21)25-16-10-11-16)27(23(28)29)14-15-6-3-4-9-20(15)31-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,24,25,26)	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	24	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))	BDBM50248262 (2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-meth...) Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O Show InChI InChI=1S/C23H23N5O3/c1-30-18-8-5-7-17(12-18)28-21-19(13-24-22(26-21)25-16-10-11-16)27(23(28)29)14-15-6-3-4-9-20(15)31-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	402	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