BDBM50070128 CHEMBL12769::Quinoline-3-sulfonic acid (4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-amide

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1

InChI Key: InChIKey=WQRHGJVXZGJYHH-QHCPKHFHSA-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 = 50070128   

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))	BDBM50070128 (CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/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	240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50070128 (CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/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	1.30	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))	BDBM50070128 (CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/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	n/a	n/a	300	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50070128 (CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/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	1.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity against cloned human beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070128 (CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/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	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair