Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50096764'   

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))	BDBM50096764 (CHEMBL127656 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2c1cccc2NC(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)=NC#N |w:43.48| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-11-30-25-46-36(42-30)44-22-19-31-32(12-8-13-33(31)44)43-35(40-26-37)41-29-16-14-27(15-17-29)18-21-39-24-34(45)28-10-9-20-38-23-28/h8-10,12-17,20,23,25,34,39,45H,2-7,11,18-19,21-22,24H2,1H3,(H2,40,41,43)/t34-/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	930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
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