BDBM50419640 CHEMBL1940819

SMILES: OCc1cc(ccc1O)C(O)CNC1Cc2ccc(NCC(O)c3ccccc3)cc2C1

InChI Key: InChIKey=XLLFIZZCSSXWLL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50419640   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419640 (CHEMBL1940819) Show SMILES OCc1cc(ccc1O)C(O)CNC1Cc2ccc(NCC(O)c3ccccc3)cc2C1 Show InChI InChI=1S/C26H30N2O4/c29-16-21-10-19(7-9-24(21)30)26(32)15-28-23-11-18-6-8-22(12-20(18)13-23)27-14-25(31)17-4-2-1-3-5-17/h1-10,12,23,25-32H,11,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay				Bioorg Med Chem Lett 22: 1213-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q
					More data for this Ligand-Target Pair