Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50301255'   

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))	BDBM50301255 (2-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C29H41N5O6/c1-29(2,31-16-23(36)21-12-13-22(35)27-28(21)40-18-26(39)33-27)15-19-8-10-20(11-9-19)32-24(37)7-6-14-30-25(38)17-34(3,4)5/h8-13,23,31,36H,6-7,14-18H2,1-5H3,(H3-,30,32,33,35,37,38,39)/p+1	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	3.5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair