BDBM50018590 CHEMBL3290971

SMILES: OCc1cc(ccc1O)C(O)CNCCc1ccc(Br)cc1

InChI Key: InChIKey=VWWJBLDOSAHQNF-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50018590   

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))	BDBM50018590 (CHEMBL3290971) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Br)cc1 Show InChI InChI=1S/C17H20BrNO3/c18-15-4-1-12(2-5-15)7-8-19-10-17(22)13-3-6-16(21)14(9-13)11-20/h1-6,9,17,19-22H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018590 (CHEMBL3290971) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Br)cc1 Show InChI InChI=1S/C17H20BrNO3/c18-15-4-1-12(2-5-15)7-8-19-10-17(22)13-3-6-16(21)14(9-13)11-20/h1-6,9,17,19-22H,7-8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from beta2 receptor (unknown origin) by liquid scintillation counting and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018590 (CHEMBL3290971) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Br)cc1 Show InChI InChI=1S/C17H20BrNO3/c18-15-4-1-12(2-5-15)7-8-19-10-17(22)13-3-6-16(21)14(9-13)11-20/h1-6,9,17,19-22H,7-8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair