BDBM50072393 4-Bromo-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL105968

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1

InChI Key: InChIKey=KLVMEQFTRMUXID-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 = 50072393   

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))	BDBM50072393 (4-Bromo-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C21H22BrN3O3S/c22-18-5-9-20(10-6-18)29(27,28)25-19-7-3-16(4-8-19)11-13-24-15-21(26)17-2-1-12-23-14-17/h1-10,12,14,21,24-26H,11,13,15H2/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	PubMed	n/a	n/a	5.00E+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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50072393 (4-Bromo-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C21H22BrN3O3S/c22-18-5-9-20(10-6-18)29(27,28)25-19-7-3-16(4-8-19)11-13-24-15-21(26)17-2-1-12-23-14-17/h1-10,12,14,21,24-26H,11,13,15H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+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
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072393 (4-Bromo-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C21H22BrN3O3S/c22-18-5-9-20(10-6-18)29(27,28)25-19-7-3-16(4-8-19)11-13-24-15-21(26)17-2-1-12-23-14-17/h1-10,12,14,21,24-26H,11,13,15H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	77	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