BDBM50372682 CHEMBL270027

SMILES: O[C@@H](CNCCc1ccc(Cc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1

InChI Key: InChIKey=XUITYTKWUCWVPD-DEOSSOPVSA-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 = 50372682   

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))	BDBM50372682 (CHEMBL270027) Show SMILES O[C@@H](CNCCc1ccc(Cc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H26ClNO4/c26-22-3-1-2-21(15-22)24(28)16-27-13-12-18-4-6-19(7-5-18)14-20-8-10-23(11-9-20)31-17-25(29)30/h1-11,15,24,27-28H,12-14,16-17H2,(H,29,30)/t24-/m0/s1	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	64	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))	BDBM50372682 (CHEMBL270027) Show SMILES O[C@@H](CNCCc1ccc(Cc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H26ClNO4/c26-22-3-1-2-21(15-22)24(28)16-27-13-12-18-4-6-19(7-5-18)14-20-8-10-23(11-9-20)31-17-25(29)30/h1-11,15,24,27-28H,12-14,16-17H2,(H,29,30)/t24-/m0/s1	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	39	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