BDBM50071294 CHEMBL294042::L-74372::N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-4-iodo-benzenesulfonamide

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1

InChI Key: InChIKey=JKCIKWIXDFDPQX-FQEVSTJZSA-N

Data: 2 IC50  3 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 = 50071294   

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))	BDBM50071294 (CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50071294 (CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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	3.60	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-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50071294 (CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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	3.60	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50071294 (CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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	3.60	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity against human Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50071294 (CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair