BindingDB logo
myBDB logout

BDBM50071299 4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-benzenesulfonamide::CHEMBL64932

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

InChI Key: InChIKey=WWPYNKRNJNPFSG-FQEVSTJZSA-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 = 50071299   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adrenergic receptor


(Homo sapiens (Human))
BDBM50071299
PNG
(4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24FN3O4S/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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50071299
PNG
(4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24FN3O4S/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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50071299
PNG
(4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24FN3O4S/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
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair