Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50098664'   

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))	BDBM50098664 (1-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C26H34N4O7S/c1-38(36,37)28-21-15-18(6-9-23(21)31)24(32)16-27-19-10-13-29(14-11-19)20-7-4-17(5-8-20)25(33)30-12-2-3-22(30)26(34)35/h4-9,15,19,22,24,27-28,31-32H,2-3,10-14,16H2,1H3,(H,34,35)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair