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BDBM50332575 CHEMBL1630726::N-ethyl-2-(5-fluoro-1H-indol-3-yl)ethanamine

SMILES: CCNCCc1c[nH]c2ccc(F)cc12

InChI Key: InChIKey=GKPVFLDXGOMXHI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332575   
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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332575
PNG
(CHEMBL1630726 | N-ethyl-2-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-2-14-6-5-9-8-15-12-4-3-10(13)7-11(9)12/h3-4,7-8,14-15H,2,5-6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332575
PNG
(CHEMBL1630726 | N-ethyl-2-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-2-14-6-5-9-8-15-12-4-3-10(13)7-11(9)12/h3-4,7-8,14-15H,2,5-6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair