Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50080549'   

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 (Rattus norvegicus (rat))	BDBM50080549 (CHEMBL123002 | [2-Amino-6-(3,4-dichloro-benzyl)-4,...) Show SMILES Nc1sc2CN(Cc3ccc(Cl)c(Cl)c3)CCc2c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17Cl3N2OS/c22-14-4-2-13(3-5-14)20(27)19-15-7-8-26(11-18(15)28-21(19)25)10-12-1-6-16(23)17(24)9-12/h1-6,9H,7-8,10-11,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+4	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
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