BDBM50375508 CHEMBL410317

SMILES: CCCC(=O)Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1

InChI Key: InChIKey=XWFJYPVCZCHXDN-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 = 50375508   

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))	BDBM50375508 (CHEMBL410317) Show SMILES CCCC(=O)Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1 Show InChI InChI=1S/C22H18N4O3/c1-2-6-19(27)24-22-16(12-23)20(15-9-10-17-18(11-15)29-13-28-17)25-21(26-22)14-7-4-3-5-8-14/h3-5,7-11H,2,6,13H2,1H3,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	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