BDBM50072380 CHEMBL104180::N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1

InChI Key: InChIKey=BCWLXOBLHXTWME-NRFANRHFSA-N

Data: 2 IC50  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 = 50072380   

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))	BDBM50072380 (CHEMBL104180 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1 Show InChI InChI=1S/C21H23N3O3S/c25-21(18-5-4-13-22-15-18)16-23-14-12-17-8-10-19(11-9-17)24-28(26,27)20-6-2-1-3-7-20/h1-11,13,15,21,23-25H,12,14,16H2/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072380 (CHEMBL104180 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1 Show InChI InChI=1S/C21H23N3O3S/c25-21(18-5-4-13-22-15-18)16-23-14-12-17-8-10-19(11-9-17)24-28(26,27)20-6-2-1-3-7-20/h1-11,13,15,21,23-25H,12,14,16H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonism against Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50072380 (CHEMBL104180 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1 Show InChI InChI=1S/C21H23N3O3S/c25-21(18-5-4-13-22-15-18)16-23-14-12-17-8-10-19(11-9-17)24-28(26,27)20-6-2-1-3-7-20/h1-11,13,15,21,23-25H,12,14,16H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair