null

SMILES: CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=SVIXZCUMQSKZPM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50231591   

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))	BDBM50231591 (CHEMBL4090857) Show SMILES CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O2/c1-2-11-22-17(23)14-16(20-15(19-14)12-7-3-4-8-12)21-18(22)24-13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231591 (CHEMBL4090857) Show SMILES CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O2/c1-2-11-22-17(23)14-16(20-15(19-14)12-7-3-4-8-12)21-18(22)24-13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair