Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50243542'   

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))	BDBM50243542 (4-(3-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...) Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(CCCNC[C@H](O)c2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C27H30ClNO4/c1-2-15-33-26-17-21(12-13-24(26)27(31)32)20-10-8-19(9-11-20)5-4-14-29-18-25(30)22-6-3-7-23(28)16-22/h3,6-13,16-17,25,29-30H,2,4-5,14-15,18H2,1H3,(H,31,32)/t25-/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	180	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
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