Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50224023'   

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))	BDBM50224023 ((S)-6-(4-(2-(3-(3,3-diethyl-2-oxoindolin-4-yloxy)-...) Show SMILES CCC1(CC)C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 Show InChI InChI=1S/C31H38N4O5/c1-5-31(6-2)27-24(35-29(31)38)8-7-9-25(27)39-19-22(36)18-34-30(3,4)16-20-10-13-23(14-11-20)40-26-15-12-21(17-33-26)28(32)37/h7-15,17,22,34,36H,5-6,16,18-19H2,1-4H3,(H2,32,37)(H,35,38)/t22-/m0/s1	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level				Bioorg Med Chem Lett 17: 6270-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.011 BindingDB Entry DOI: 10.7270/Q22V2FV6
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