Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50496135'   

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))	BDBM50496135 (CHEMBL3121720) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)9-10-25-12-7-5-11(6-8-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-8H,9-10H2,1-4H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
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