BDBM50228535 CHEMBL99532

SMILES: COCCc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1

InChI Key: InChIKey=UNEPTPUBKUXFLT-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 = 50228535   

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))	BDBM50228535 (CHEMBL99532) Show SMILES COCCc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-31-15-10-19-2-8-23(9-3-19)32-17-22(29)16-25-11-12-27-24(30)20-4-6-21(7-5-20)28-14-13-26-18-28/h2-9,13-14,18,22,25,29H,10-12,15-17H2,1H3,(H,27,30)	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	1.24E+4	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