Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50038030'   

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))	BDBM50038030 (CHEMBL3359409) Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H29N5O/c1-2-25-30-28-26(24-18-23(31-34(24)25)21-14-8-4-9-15-21)27(22-16-10-5-11-17-22)32-33(29(28)35)19-20-12-6-3-7-13-20/h3-4,6-9,12-15,18,22H,2,5,10-11,16-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 adenosine A1 receptor expressed in CHO cells after 120 mins				Eur J Med Chem 89: 32-41 (2014) Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC
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