BDBM50018561 CHEMBL3290995

SMILES: OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(F)cc2)cc1

InChI Key: InChIKey=QLAYVXFMJWOFJT-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 = 50018561   

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))	BDBM50018561 (CHEMBL3290995) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H25FN2O3/c24-19-4-8-21(9-5-19)26-20-6-1-16(2-7-20)11-12-25-14-23(29)17-3-10-22(28)18(13-17)15-27/h1-10,13,23,25-29H,11-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50018561 (CHEMBL3290995) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H25FN2O3/c24-19-4-8-21(9-5-19)26-20-6-1-16(2-7-20)11-12-25-14-23(29)17-3-10-22(28)18(13-17)15-27/h1-10,13,23,25-29H,11-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94E+3	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))	BDBM50018561 (CHEMBL3290995) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H25FN2O3/c24-19-4-8-21(9-5-19)26-20-6-1-16(2-7-20)11-12-25-14-23(29)17-3-10-22(28)18(13-17)15-27/h1-10,13,23,25-29H,11-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	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