BDBM50340001 CHEMBL1762478::rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benzonitrile hydrochloride

SMILES CCC(CCNC)Oc1cc(Cl)ccc1C#N

InChI Key InChIKey=VJGKGXRSJKSLFP-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50340001   

TargetSodium-dependent noradrenaline transporter(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50340001(rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benz...)
Affinity DataIC50: 7.10E+3nMAssay Description:Inhibition of NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50340001(rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benz...)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of serotonin transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50340001(rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benz...)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50340001(rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benz...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50340001(rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benz...)
Affinity DataIC50: 51nMAssay Description:Inhibition of human recombinant iNOSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed