Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50378913'   

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))	BDBM50378913 (CHEMBL2011227) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(Br)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20BrN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair