Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50264708'   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50264708 ((R)-2-benzamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...) Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(NC(=O)c3ccccc3)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H27ClN2O5/c31-23-10-5-9-22(17-23)28(34)19-32-15-14-20-6-4-11-24(16-20)38-25-12-13-27(26(18-25)30(36)37)33-29(35)21-7-2-1-3-8-21/h1-13,16-18,28,32,34H,14-15,19H2,(H,33,35)(H,36,37)/t28-/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	8.60	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 18: 5037-40 (2008) Article DOI: 10.1016/j.bmcl.2008.08.009 BindingDB Entry DOI: 10.7270/Q21R6QBZ
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