BDBM50372686 CHEMBL271401

SMILES: O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1

InChI Key: InChIKey=RZNALFDDJKMHAG-SANMLTNESA-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 = 50372686   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50372686 (CHEMBL271401) Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1 Show InChI InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/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	4	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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50372686 (CHEMBL271401) Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1 Show InChI InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/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	>1.00E+3	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