Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50091766'   

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))	BDBM50091766 (4-(4-Hexyl-thiazol-2-yl)-N-{4-[2-((R)-2-hydroxy-2-...) Show SMILES CCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H36N4O3S2/c1-2-3-4-5-8-27-22-38-30(33-27)24-11-15-28(16-12-24)39(36,37)34-26-13-9-23(10-14-26)17-19-32-21-29(35)25-7-6-18-31-20-25/h6-7,9-16,18,20,22,29,32,34-35H,2-5,8,17,19,21H2,1H3/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	620	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
					More data for this Ligand-Target Pair