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BDBM50252889 (S)-1-(4-Methanesulfonamidophenoxy)-3-(3-fluoro-4-chorophenylethylamino)-2-propanol::CHEMBL493053

SMILES: CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(F)c2)cc1

InChI Key: InChIKey=HTPCWPVYNDSILH-HNNXBMFYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50252889   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50252889
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(3-fluoro-4-...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(F)c2)cc1 |r|
Show InChI InChI=1S/C18H22ClFN2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG expressed in HEK293 cells


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50252889
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(3-fluoro-4-...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(F)c2)cc1 |r|
Show InChI InChI=1S/C18H22ClFN2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair