null

SMILES: CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1

InChI Key: InChIKey=XEDRPMHGWQSYFG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316896   

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))	BDBM50316896 (2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H...) Show SMILES CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C24H25N5O/c1-2-29-12-10-16(11-13-29)26-17-8-9-18-19(14-17)22-20(23(18)30)21(27-24(25)28-22)15-6-4-3-5-7-15/h3-9,14,16,26H,2,10-13H2,1H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50316896 (2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H...) Show SMILES CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C24H25N5O/c1-2-29-12-10-16(11-13-29)26-17-8-9-18-19(14-17)22-20(23(18)30)21(27-24(25)28-22)15-6-4-3-5-7-15/h3-9,14,16,26H,2,10-13H2,1H3,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	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 Antagonistic activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair