BDBM50372683 CHEMBL536108

SMILES: CN(c1ccc(CCNCC(O)c2cccc(Cl)c2)cc1)c1ccc(OCC(O)=O)cc1

InChI Key: InChIKey=GNGADZVNXINKNW-UHFFFAOYSA-N

Data: 2 EC50

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 = 50372683   

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))	BDBM50372683 (CHEMBL536108) Show SMILES CN(c1ccc(CCNCC(O)c2cccc(Cl)c2)cc1)c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C25H27ClN2O4/c1-28(22-9-11-23(12-10-22)32-17-25(30)31)21-7-5-18(6-8-21)13-14-27-16-24(29)19-3-2-4-20(26)15-19/h2-12,15,24,27,29H,13-14,16-17H2,1H3,(H,30,31)	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	63	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA				J Med Chem 51: 1925-44 (2008) Article DOI: 10.1021/jm701324c BindingDB Entry DOI: 10.7270/Q24X58PB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50372683 (CHEMBL536108) Show SMILES CN(c1ccc(CCNCC(O)c2cccc(Cl)c2)cc1)c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C25H27ClN2O4/c1-28(22-9-11-23(12-10-22)32-17-25(30)31)21-7-5-18(6-8-21)13-14-27-16-24(29)19-3-2-4-20(26)15-19/h2-12,15,24,27,29H,13-14,16-17H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA				J Med Chem 51: 1925-44 (2008) Article DOI: 10.1021/jm701324c BindingDB Entry DOI: 10.7270/Q24X58PB
					More data for this Ligand-Target Pair