BDBM50058439 2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydrochloride::CHEMBL501297::CHEMBL543566

SMILES CCSC(N)=Nc1ccccc1C(C)C

InChI Key InChIKey=CYTGYYHWIKQBLO-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50058439   

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

Curated by ChEMBL
LigandPNGBDBM50058439(CHEMBL543566 | CHEMBL501297 | 2-Ethyl-1-(2-isoprop...)
Affinity DataKi:  1.10E+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
LigandPNGBDBM50058439(CHEMBL543566 | CHEMBL501297 | 2-Ethyl-1-(2-isoprop...)
Affinity DataKi:  1.10E+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
LigandPNGBDBM50058439(CHEMBL543566 | CHEMBL501297 | 2-Ethyl-1-(2-isoprop...)
Affinity DataKi:  6.50E+3nMAssay 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
LigandPNGBDBM50058439(CHEMBL543566 | CHEMBL501297 | 2-Ethyl-1-(2-isoprop...)
Affinity DataKi:  1.00E+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