Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50091779'   

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))	BDBM50091779 (4-[4-(4-Hydroxy-phenyl)-thiazol-2-yl]-N-{4-[2-((R)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(O)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28N4O4S2/c35-26-11-5-22(6-12-26)28-20-39-30(33-28)23-7-13-27(14-8-23)40(37,38)34-25-9-3-21(4-10-25)15-17-32-19-29(36)24-2-1-16-31-18-24/h1-14,16,18,20,29,32,34-36H,15,17,19H2/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Beta-2 adrenergic receptor expressed in CHO cells using [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 1971-3 (2001) BindingDB Entry DOI: 10.7270/Q26T0KV0
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