Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50368359'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368359 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...) Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H22N6O4/c1-2-3-4-5-6-11-21-15(18)12-16(22-11)23(8-20-12)17-14(26)13(25)10(27-17)7-19-9-24/h8-10,13-14,17,25-26H,2-4,7H2,1H3,(H,19,24)(H2,18,21,22)/t10-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>472	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.				J Med Chem 35: 2881-90 (1992) BindingDB Entry DOI: 10.7270/Q22B8ZMC
					More data for this Ligand-Target Pair