Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50156256'   

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))	BDBM50156256 (CHEMBL186135 | Octane-1-sulfonic acid 3-(2-{(R)-(R...) Show SMILES CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C31H41N3O6S3/c1-3-4-5-6-7-8-18-42(36,37)40-29-15-10-14-27-25(21-33-31(27)29)19-23(2)32-22-28(35)24-12-9-13-26(20-24)34-43(38,39)30-16-11-17-41-30/h9-17,20-21,23,28,32-35H,3-8,18-19,22H2,1-2H3/t23-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta1 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50156256 (CHEMBL186135 | Octane-1-sulfonic acid 3-(2-{(R)-(R...) Show SMILES CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C31H41N3O6S3/c1-3-4-5-6-7-8-18-42(36,37)40-29-15-10-14-27-25(21-33-31(27)29)19-23(2)32-22-28(35)24-12-9-13-26(20-24)34-43(38,39)30-16-11-17-41-30/h9-17,20-21,23,28,32-35H,3-8,18-19,22H2,1-2H3/t23-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-1 adrenergic receptor				Bioorg Med Chem Lett 14: 5959-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.035 BindingDB Entry DOI: 10.7270/Q2GQ6X7S
					More data for this Ligand-Target Pair