Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50318998'   

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))	BDBM50318998 (2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay				Bioorg Med Chem Lett 20: 3399-404 (2010) Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW
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