Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453215'   

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))	BDBM50453215 (CHEMBL2113497) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCC1 |r| Show InChI InChI=1S/C18H23N5O5/c19-15-12-16(22-11(21-15)4-7-18(27)5-2-1-3-6-18)23(9-20-12)17-14(26)13(25)10(8-24)28-17/h9-10,13-14,17,24-27H,1-3,5-6,8H2,(H2,19,21,22)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamasa Shoyu Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranes				J Med Chem 35: 2253-60 (1992) BindingDB Entry DOI: 10.7270/Q2VT1SQZ
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