null

SMILES: COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O

InChI Key: InChIKey=UIPGYPFXNHMJOO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248477   

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 A1 (Homo sapiens (Human))	BDBM50248477 (2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-meth...) Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O |(5.47,-48.53,;4.7,-47.2,;3.16,-47.19,;2.39,-48.52,;.86,-48.51,;.1,-47.18,;.88,-45.86,;2.4,-45.87,;.12,-44.53,;-1.35,-44.06,;-2.68,-44.82,;-4.01,-44.05,;-5.34,-44.83,;-6.67,-44.06,;-7.45,-42.72,;-8.22,-44.05,;-4.01,-42.51,;-2.68,-41.74,;-1.35,-42.51,;.12,-42.04,;.84,-40.68,;.03,-39.38,;.74,-38.02,;2.29,-37.96,;3.11,-39.27,;2.38,-40.63,;3.2,-41.94,;4.73,-41.89,;1.03,-43.28,;2.57,-43.28,)| Show InChI InChI=1S/C22H21N5O3/c1-29-16-7-5-6-15(12-16)26-20-18(13-23-21(25-20)24-14-10-11-14)27(22(26)28)17-8-3-4-9-19(17)30-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50248477 (2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-meth...) Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O |(5.47,-48.53,;4.7,-47.2,;3.16,-47.19,;2.39,-48.52,;.86,-48.51,;.1,-47.18,;.88,-45.86,;2.4,-45.87,;.12,-44.53,;-1.35,-44.06,;-2.68,-44.82,;-4.01,-44.05,;-5.34,-44.83,;-6.67,-44.06,;-7.45,-42.72,;-8.22,-44.05,;-4.01,-42.51,;-2.68,-41.74,;-1.35,-42.51,;.12,-42.04,;.84,-40.68,;.03,-39.38,;.74,-38.02,;2.29,-37.96,;3.11,-39.27,;2.38,-40.63,;3.2,-41.94,;4.73,-41.89,;1.03,-43.28,;2.57,-43.28,)| Show InChI InChI=1S/C22H21N5O3/c1-29-16-7-5-6-15(12-16)26-20-18(13-23-21(25-20)24-14-10-11-14)27(22(26)28)17-8-3-4-9-19(17)30-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,24,25)	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	5.12E+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]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