Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50331908'   

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))	BDBM50331908 (CHEMBL1290436 | N-benzyl-2-(2-oxo-4-phenethyl-3-(t...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 Show InChI InChI=1S/C29H25N3O3S/c33-26(31-18-21-9-5-2-6-10-21)19-35-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)27(28(34)32-25)29-30-15-16-36-29/h1-10,12,14-17H,11,13,18-19H2,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
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