BDBM50015196 CHEMBL542544::N-(4-{2-Hydroxy-3-[2-(4-imidazol-1-yl-phenoxy)-ethylamino]-propoxy}-phenyl)-N-methyl-methanesulfonamidecompound with 2mol of HCl

SMILES: CN(c1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1)S(C)(=O)=O

InChI Key: InChIKey=XYTXLQMEOKUFHD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50015196   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50015196 (CHEMBL542544 | N-(4-{2-Hydroxy-3-[2-(4-imidazol-1-...) Show SMILES CN(c1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C22H28N4O5S/c1-25(32(2,28)29)18-3-7-22(8-4-18)31-16-20(27)15-23-12-14-30-21-9-5-19(6-10-21)26-13-11-24-17-26/h3-11,13,17,20,23,27H,12,14-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description In vitro Beta-1 adrenergic receptor affinity in partially purified membrane fractions from canine cardiac tissue using [SH]dihydroalprenolol (4.5 nM)				J Med Chem 33: 1087-90 (1990) BindingDB Entry DOI: 10.7270/Q2DB82FG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50015196 (CHEMBL542544 | N-(4-{2-Hydroxy-3-[2-(4-imidazol-1-...) Show SMILES CN(c1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C22H28N4O5S/c1-25(32(2,28)29)18-3-7-22(8-4-18)31-16-20(27)15-23-12-14-30-21-9-5-19(6-10-21)26-13-11-24-17-26/h3-11,13,17,20,23,27H,12,14-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description In vitro Beta-2 adrenergic receptor affinity in partially purified membrane fractions from canine lung tissue using [SH]dihydroalprenolol (4.5 nM)				J Med Chem 33: 1087-90 (1990) BindingDB Entry DOI: 10.7270/Q2DB82FG
					More data for this Ligand-Target Pair