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BDBM50021875 CHEMBL3298691

SMILES: NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1

InChI Key: InChIKey=ZVWLZBKDMMRTNF-MHZLTWQESA-N

Data: 1 KI 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50021875
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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 human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES Show InChI	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	40	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta3 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES Show InChI	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	0.158	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES Show InChI	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	0.631	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES Show InChI	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	7.90	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair