Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50296967'   

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))	BDBM50296967 (3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-hy...) Show SMILES C[C@H](NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1)[C@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C31H38N2O6S/c1-21(30(35)24-12-15-26(34)16-13-24)32-19-18-22-8-10-23(11-9-22)25-14-17-28(31(36)33-40(2,37)38)29(20-25)39-27-6-4-3-5-7-27/h8-17,20-21,27,30,32,34-35H,3-7,18-19H2,1-2H3,(H,33,36)/t21-,30-/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	n/a	n/a	110	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
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