BDBM50375502 CHEMBL407609

SMILES: CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1

InChI Key: InChIKey=LACBOWBBEMNPOF-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 = 50375502   

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))	BDBM50375502 (CHEMBL407609) Show SMILES CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H19N3O3/c1-2-6-20(25)24-21-22-16(14-7-4-3-5-8-14)12-17(23-21)15-9-10-18-19(11-15)27-13-26-18/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair