Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50423822'   

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))	BDBM50423822 (CHEMBL1830621) Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12 |c:37,45,t:35| Show InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16-19-42(55(37)47)44-8-5-29-63-44)13-10-34-11-17-39(18-12-34)61-33-46(58)52-21-3-1-2-9-45(57)53-24-26-60-28-27-59-25-23-50-31-38(56)32-62-43-7-4-6-41-40(43)20-22-51-41/h4-8,10-20,22,29-30,38,50-51,56H,1-3,9,21,23-28,31-33H2,(H,52,58)(H,53,57)/b13-10+	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	380	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50423822 (CHEMBL1830621) Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12 |c:37,45,t:35| Show InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16-19-42(55(37)47)44-8-5-29-63-44)13-10-34-11-17-39(18-12-34)61-33-46(58)52-21-3-1-2-9-45(57)53-24-26-60-28-27-59-25-23-50-31-38(56)32-62-43-7-4-6-41-40(43)20-22-51-41/h4-8,10-20,22,29-30,38,50-51,56H,1-3,9,21,23-28,31-33H2,(H,52,58)(H,53,57)/b13-10+	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	288	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair