Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50038029'   

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))	BDBM50038029 (CHEMBL3359413) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C26H23N5O/c1-17-27-25-23(22-15-21(28-31(17)22)19-11-6-3-7-12-19)24(20-13-8-14-20)29-30(26(25)32)16-18-9-4-2-5-10-18/h2-7,9-12,15,20H,8,13-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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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