Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1/Beta-2/Beta-3 adrenergic receptor' and Ligand = 'BDBM25762'   

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/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25762 (CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...) Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...				J Med Chem 33: 2883-91 (1990) BindingDB Entry DOI: 10.7270/Q2416XN5
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25762 (CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...) Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration effective against displacing [3H]dihydroalprenolol from beta adrenergic receptor from canine ventricular tissue				J Med Chem 30: 696-704 (1987) BindingDB Entry DOI: 10.7270/Q2V1271T
					More data for this Ligand-Target Pair