Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50545315'   

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 (Homo sapiens (Human))	BDBM50545315 (CHEMBL4646158) Show SMILES Nc1nc(NCC2CCN(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C23H26N8O4S2/c24-20-19-22(36-21(28-19)17-2-1-11-35-17)30-23(29-20)26-12-14-7-9-31(10-8-14)13-18(32)27-15-3-5-16(6-4-15)37(25,33)34/h1-6,11,14H,7-10,12-13H2,(H,27,32)(H2,25,33,34)(H3,24,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells by competitive binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127067 BindingDB Entry DOI: 10.7270/Q26M3BFS
					More data for this Ligand-Target Pair