Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50080540'   

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))	BDBM50080540 ((2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)...) Show SMILES Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor in CHO membranes				Bioorg Med Chem Lett 16: 1402-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.037 BindingDB Entry DOI: 10.7270/Q21V5DJK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080540 ((2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)...) Show SMILES Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Enhanced 0.5 nM [3H]-CCPA dissociation from adenosine A1 receptor of rat brain cortex membranes compared to 100 uM CPA				J Med Chem 42: 3629-35 (1999) Article DOI: 10.1021/jm991051d BindingDB Entry DOI: 10.7270/Q28K789Z
					More data for this Ligand-Target Pair