Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50318983'   

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))	BDBM50318983 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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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