Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50156246'   

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))	BDBM50156246 (Butane-1-sulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[...) Show SMILES CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C27H33N3O6S3/c1-3-4-14-38(32,33)36-25-11-6-10-23-21(17-29-27(23)25)15-19(2)28-18-24(31)20-8-5-9-22(16-20)30-39(34,35)26-12-7-13-37-26/h5-13,16-17,19,24,28-31H,3-4,14-15,18H2,1-2H3/t19-,24+/m1/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	0.590	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50156246 (Butane-1-sulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[...) Show SMILES CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C27H33N3O6S3/c1-3-4-14-38(32,33)36-25-11-6-10-23-21(17-29-27(23)25)15-19(2)28-18-24(31)20-8-5-9-22(16-20)30-39(34,35)26-12-7-13-37-26/h5-13,16-17,19,24,28-31H,3-4,14-15,18H2,1-2H3/t19-,24+/m1/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	0.590	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor				Bioorg Med Chem Lett 14: 5959-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.035 BindingDB Entry DOI: 10.7270/Q2GQ6X7S
					More data for this Ligand-Target Pair