BDBM50071289 CHEMBL67461::Quinoline-3-sulfonic acid (4-{2-[(S)-3-(6-amino-pyridin-3-yloxy)-2-hydroxy-propylamino]-ethyl}-phenyl)-amide

SMILES: Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1

InChI Key: InChIKey=XVHHXHFRYXZSGS-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 = 50071289   

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))	BDBM50071289 (CHEMBL67461 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 Show InChI InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/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	1.30E+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-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))	BDBM50071289 (CHEMBL67461 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 Show InChI InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/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	43	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))	BDBM50071289 (CHEMBL67461 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 Show InChI InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/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	6.30E+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