Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50078809'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50078809 (1-[4-(3-cyclopentylpropyl)-1,3-thiazol-2-yl]-N-phe...) Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1nc(CCCC2CCCC2)cs1 Show InChI InChI=1S/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
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