Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50313951'   

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))	BDBM50313951 (CHEMBL1093385 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...) Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r| Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
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