Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50423823'   

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))	BDBM50423823 (CHEMBL1830620) Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12 |c:31,39,t:29| Show InChI InChI=1S/C42H45BF2N6O5S/c44-43(45)50-31(14-15-32(50)26-33-16-19-38(51(33)43)40-8-5-25-57-40)13-10-30-11-17-35(18-12-30)55-29-42(54)48-21-3-1-2-9-41(53)49-24-23-46-27-34(52)28-56-39-7-4-6-37-36(39)20-22-47-37/h4-8,10-20,22,25-26,34,46-47,52H,1-3,9,21,23-24,27-29H2,(H,48,54)(H,49,53)/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	331	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))	BDBM50423823 (CHEMBL1830620) Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12 |c:31,39,t:29| Show InChI InChI=1S/C42H45BF2N6O5S/c44-43(45)50-31(14-15-32(50)26-33-16-19-38(51(33)43)40-8-5-25-57-40)13-10-30-11-17-35(18-12-30)55-29-42(54)48-21-3-1-2-9-41(53)49-24-23-46-27-34(52)28-56-39-7-4-6-37-36(39)20-22-47-37/h4-8,10-20,22,25-26,34,46-47,52H,1-3,9,21,23-24,27-29H2,(H,48,54)(H,49,53)/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	178	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