BDBM50231600 CHEMBL4078579

SMILES: CCCn1c(Nc2ccccc2)nc2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=DZMZWDANOIAWHT-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231600   

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))	BDBM50231600 (CHEMBL4078579) Show SMILES CCCn1c(Nc2ccccc2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H23N5O/c1-2-12-24-18(25)15-17(22-16(21-15)13-8-6-7-9-13)23-19(24)20-14-10-4-3-5-11-14/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	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