Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50097798'   

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))	BDBM50097798 (CHEMBL163262 | N-[5-((R)-2-{1-[4-(2,4-Dioxo-thiazo...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)[nH]c2O)cc1 Show InChI InChI=1S/C24H30N4O6S2/c1-36(33,34)27-19-13-16(4-7-20(19)29)21(30)14-25-17-8-10-28(11-9-17)18-5-2-15(3-6-18)12-22-23(31)26-24(32)35-22/h2-7,13,17,21,25,27,29-31H,8-12,14H2,1H3,(H,26,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Beta 3-adrenergic receptor agonistic activity as cAMP accumulation in CHO cells				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50097798 (CHEMBL163262 | N-[5-((R)-2-{1-[4-(2,4-Dioxo-thiazo...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)[nH]c2O)cc1 Show InChI InChI=1S/C24H30N4O6S2/c1-36(33,34)27-19-13-16(4-7-20(19)29)21(30)14-25-17-8-10-28(11-9-17)18-5-2-15(3-6-18)12-22-23(31)26-24(32)35-22/h2-7,13,17,21,25,27,29-31H,8-12,14H2,1H3,(H,26,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonistic activity as cAMP accumulation in CHO cells expressing human beta-3-andrenergic receptor				Bioorg Med Chem Lett 11: 757-60 (2001) BindingDB Entry DOI: 10.7270/Q2BP022B
					More data for this Ligand-Target Pair