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BDBM50332579 CHEMBL1630730::N,N-diethyl-2-(5-fluoro-1H-indol-3-yl)ethanamine

SMILES: CCN(CC)CCc1c[nH]c2ccc(F)cc12

InChI Key: InChIKey=LBJIPBJDJFZKIQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332579   
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))
BDBM50332579
PNG
(CHEMBL1630730 | N,N-diethyl-2-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-6-5-12(15)9-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/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))
BDBM50332579
PNG
(CHEMBL1630730 | N,N-diethyl-2-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-6-5-12(15)9-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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