Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50413489'   

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))	BDBM50413489 (CHEMBL500782) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C31H48N2O6S/c34-24-27-22-26(16-17-30(27)35)31(36)23-32-18-7-1-2-8-19-39-20-9-6-11-25-12-10-15-29(21-25)40(37,38)33-28-13-4-3-5-14-28/h10,12,15-17,21-22,28,31-36H,1-9,11,13-14,18-20,23-24H2/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...				J Med Chem 52: 2280-8 (2009) Article DOI: 10.1021/jm801016j BindingDB Entry DOI: 10.7270/Q2ST7R2P
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