Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50096770'   

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))	BDBM50096770 (CHEMBL124597 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc2cc(NC(Nc3ccc4N(CCc4c3)c3nc(cs3)-c3ccc(OC(F)(F)F)cc3)=NC#N)ccc2c1)c1cccnc1 |w:40.44| Show InChI InChI=1S/C39H33F3N8O2S/c40-39(41,42)52-33-10-6-26(7-11-33)34-23-53-38(49-34)50-17-14-29-20-32(9-12-35(29)50)48-37(46-24-43)47-31-8-5-27-18-25(3-4-28(27)19-31)13-16-45-22-36(51)30-2-1-15-44-21-30/h1-12,15,18-21,23,36,45,51H,13-14,16-17,22H2,(H2,46,47,48)/t36-/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	19	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro efficacy at human beta-3 adrenergic receptor.				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
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