Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50199700'   

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))	BDBM50199700 (CHEMBL3905929) Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(CC(=O)NCCN2CCCCC2)cc1 Show InChI InChI=1S/C33H35Cl2N7O3/c1-2-42-32(44)29(38-33(45)39-31-26(34)20-36-21-27(31)35)19-28(40-42)25-8-6-7-24(18-25)23-11-9-22(10-12-23)17-30(43)37-13-16-41-14-4-3-5-15-41/h6-12,18-21H,2-5,13-17H2,1H3,(H,37,43)(H2,36,38,39,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor (unknown origin)				J Med Chem 59: 10479-10497 (2016) Article DOI: 10.1021/acs.jmedchem.6b00829 BindingDB Entry DOI: 10.7270/Q21G0P75
					More data for this Ligand-Target Pair