Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50277478'   

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))	BDBM50277478 (3-(Cyclopentyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenyl...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H34N2O5S/c1-37(34,35)31-29(33)26-16-15-24(19-28(26)36-25-9-5-6-10-25)22-13-11-21(12-14-22)17-18-30-20-27(32)23-7-3-2-4-8-23/h2-4,7-8,11-16,19,25,27,30,32H,5-6,9-10,17-18,20H2,1H3,(H,31,33)/t27-/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	750	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 immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
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