BDBM50228538 CHEMBL99391

SMILES: COCCc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1

InChI Key: InChIKey=BLVNRIFTKIDVAZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50228538   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adrenergic receptor beta (Homo sapiens (Human))	BDBM50228538 (CHEMBL99391) Show SMILES COCCc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C23H33N3O5S/c1-30-16-11-19-3-9-23(10-4-19)31-18-22(27)17-25-12-14-26(15-13-25)21-7-5-20(6-8-21)24-32(2,28)29/h3-10,22,24,27H,11-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+5	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