Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50224025'   

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))	BDBM50224025 (6-(4-(2-((S)-2-hydroxy-3-(3-methyl-2-oxoindolin-4-...) Show SMILES CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:1.0| Show InChI InChI=1S/C28H32N4O5/c1-17-25-22(32-27(17)35)5-4-6-23(25)36-16-20(33)15-31-28(2,3)13-18-7-10-21(11-8-18)37-24-12-9-19(14-30-24)26(29)34/h4-12,14,17,20,31,33H,13,15-16H2,1-3H3,(H2,29,34)(H,32,35)/t17?,20-/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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