BDBM50295318 (S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)phenyl)benzenesulfonamide::CHEMBL563872

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1

InChI Key: InChIKey=FHPQNWRMRMCTGJ-NRFANRHFSA-N

Data: 5 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 5 hits for monomerid = 50295318   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50295318 ((S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-7-3-1-4-8-22)17-24-16-15-19-11-13-20(14-12-19)25-30(27,28)23-9-5-2-6-10-23/h1-14,21,24-26H,15-18H2/t21-/m0/s1	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	410	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50295318 ((S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-7-3-1-4-8-22)17-24-16-15-19-11-13-20(14-12-19)25-30(27,28)23-9-5-2-6-10-23/h1-14,21,24-26H,15-18H2/t21-/m0/s1	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	890	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50295318 ((S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-7-3-1-4-8-22)17-24-16-15-19-11-13-20(14-12-19)25-30(27,28)23-9-5-2-6-10-23/h1-14,21,24-26H,15-18H2/t21-/m0/s1	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	110	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoass...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50295318 ((S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-7-3-1-4-8-22)17-24-16-15-19-11-13-20(14-12-19)25-30(27,28)23-9-5-2-6-10-23/h1-14,21,24-26H,15-18H2/t21-/m0/s1	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	7.80E+4	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoass...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50295318 ((S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-7-3-1-4-8-22)17-24-16-15-19-11-13-20(14-12-19)25-30(27,28)23-9-5-2-6-10-23/h1-14,21,24-26H,15-18H2/t21-/m0/s1	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	>1.00E+5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair