BindingDB PrimarySearch

BDBM50018589 CHEMBL3290999

SMILES: COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1

InChI Key: InChIKey=LGFPFBZHAODPHC-LJAQVGFWSA-N

Data: 1 KI 9 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50018589
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))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 recombinant beta1 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
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 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
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 receptor in BEAS-2B cells assessed as cAMP accumulation by radioimmunoassay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.398	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))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.126	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	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 (GUINEA PIG)	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.126	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
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair