null

SMILES: Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1

InChI Key: InChIKey=PHKMNQZRCLRHSW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316995   

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))	BDBM50316995 (2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl...) Show SMILES Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27)	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50316995 (2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl...) Show SMILES Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair