null

SMILES: COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O

InChI Key: InChIKey=NPLCYSYGICENHP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248526   

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))	BDBM50248526 (2-(benzylamino)-7-(2,6-difluorobenzyl)-9-(3-methox...) Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C26H21F2N5O2/c1-35-19-10-5-9-18(13-19)33-24-23(15-30-25(31-24)29-14-17-7-3-2-4-8-17)32(26(33)34)16-20-21(27)11-6-12-22(20)28/h2-13,15H,14,16H2,1H3,(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	72	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))	BDBM50248526 (2-(benzylamino)-7-(2,6-difluorobenzyl)-9-(3-methox...) Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C26H21F2N5O2/c1-35-19-10-5-9-18(13-19)33-24-23(15-30-25(31-24)29-14-17-7-3-2-4-8-17)32(26(33)34)16-20-21(27)11-6-12-22(20)28/h2-13,15H,14,16H2,1H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.97E+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