Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50450928'   

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))	BDBM50450928 (CHEMBL2113728) Show SMILES OC(=O)C[C@@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes				Bioorg Med Chem Lett 9: 1979-84 (1999) BindingDB Entry DOI: 10.7270/Q2348JK6
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