Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50418940'   

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))	BDBM50418940 (CHEMBL1807825) Show SMILES CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C24H33N3O4S2/c1-2-31-18-6-4-17(5-7-18)10-12-25-11-3-14-32-15-13-26-16-21(29)19-8-9-20(28)22-23(19)33-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/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	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair