Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50423825'   

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))	BDBM50423825 (CHEMBL1830493) Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |r,c:31,39,t:29| Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+/t37-/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	42	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))	BDBM50423825 (CHEMBL1830493) Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |r,c:31,39,t:29| Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+/t37-/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	69	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells				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