Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50304477'   

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))	BDBM50304477 (2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]py...) Show SMILES Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O Show InChI InChI=1S/C15H16N2O2S/c16-14-13(15(18)19)11-6-7-17(9-12(11)20-14)8-10-4-2-1-3-5-10/h1-5H,6-9,16H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Allosteric modulatory activity at human adenosine A1 receptor expressed in CHOk1 cells assessed as drug level causing half maximal allosteric effect ...				Bioorg Med Chem 17: 7353-61 (2009) Article DOI: 10.1016/j.bmc.2009.08.024 BindingDB Entry DOI: 10.7270/Q2H9959W
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