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BDBM50055281 2-Ethyl-isothiourea::CHEMBL321691::ETHYLISOTHIOUREA::S-ETHYLISOTHIOUREA::S-ethyl-iso-thiourea

SMILES: CCSC(N)=N

InChI Key: InChIKey=VFIZBHJTOHUOEK-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 9 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50055281   
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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50055281
PNG
(2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...)
Show SMILES CCSC(N)=N
Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
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Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Washington University Medical School

Curated by ChEMBL


Assay Description
Binding affinity against mouse Inducible nitric oxide synthase (iNOS)


J Med Chem 39: 5110-8 (1997)


Article DOI: 10.1021/jm960481q
BindingDB Entry DOI: 10.7270/Q29W0DKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50055281
PNG
(2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...)
Show SMILES CCSC(N)=N
Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
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Article
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29n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50055281
PNG
(2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...)
Show SMILES CCSC(N)=N
Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
PDB
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n/an/a 160n/an/an/an/an/an/a



Washington University Medical School

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory potencies using human Inducible nitric oxide synthase (hiNOS)


J Med Chem 39: 5110-8 (1997)


Article DOI: 10.1021/jm960481q
BindingDB Entry DOI: 10.7270/Q29W0DKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50055281
PNG
(2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...)
Show SMILES CCSC(N)=N
Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
PDB

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PDB
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Washington University Medical School

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory potencies using human Endothelial nitric oxide synthase


J Med Chem 39: 5110-8 (1997)


Article DOI: 10.1021/jm960481q
BindingDB Entry DOI: 10.7270/Q29W0DKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)