Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50419708'   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419708 (CHEMBL1947150) Show SMILES Oc1ccc(CCNCCc2ccc(cc2)-c2cccc(CN3Cc4ccccc4C3)c2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C32H31N3O2S/c36-29-13-12-25(31-30(29)34-32(37)38-31)15-17-33-16-14-22-8-10-24(11-9-22)26-7-3-4-23(18-26)19-35-20-27-5-1-2-6-28(27)21-35/h1-13,18,33,36H,14-17,19-21H2,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
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