Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50070175'   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070175 (CHEMBL13106 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES CC(C)OC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C27H33N3O7S/c1-19(2)37-27(33)29-21-7-13-26(14-8-21)38(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.				Bioorg Med Chem Lett 8: 1107-12 (1999) BindingDB Entry DOI: 10.7270/Q2QZ2942
					More data for this Ligand-Target Pair