BDBM50058458 2-Ethyl-1-(2-trifluoromethyl-phenyl)-isothiourea; hydrochloride::CHEMBL499881::CHEMBL542856

SMILES CCSC(N)=Nc1ccccc1C(F)(F)F

InChI Key InChIKey=XAEUDEGRGXDPHH-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50058458   

TargetNitric oxide synthase, brain(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50058458(CHEMBL542856 | CHEMBL499881 | 2-Ethyl-1-(2-trifluo...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50058458(CHEMBL542856 | CHEMBL499881 | 2-Ethyl-1-(2-trifluo...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of nNOS assessed as conversion of L-[3H]arginine to L-[3H]citrullineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50058458(CHEMBL542856 | CHEMBL499881 | 2-Ethyl-1-(2-trifluo...)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibitory activity against human vascular endothelial nitric oxide synthase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50058458(CHEMBL542856 | CHEMBL499881 | 2-Ethyl-1-(2-trifluo...)
Affinity DataKi:  2.20E+4nMAssay Description:Inhibitory activity against human inducible nitric oxide synthase (iNOS).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed