BindingDB logo
myBDB logout

1 similar compounds to monomer 50155791

Compile data set for download or QSAR
Wt: 130.2
BDBM50104653

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50104653   
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, brain


(Homo sapiens (Human))
BDBM50104653
PNG
(CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...)
Show SMILES NC1=NCCSCC1
Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of Neuronal nitric oxide synthase


Bioorg Med Chem Lett 11: 2651-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00523-6
BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50104653
PNG
(CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...)
Show SMILES NC1=NCCSCC1
Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase


Bioorg Med Chem Lett 11: 2651-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00523-6
BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50104653
PNG
(CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...)
Show SMILES NC1=NCCSCC1
Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 5907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.019
BindingDB Entry DOI: 10.7270/Q2JQ10HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50104653
PNG
(CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...)
Show SMILES NC1=NCCSCC1
Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 5907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.019
BindingDB Entry DOI: 10.7270/Q2JQ10HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50104653
PNG
(CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...)
Show SMILES NC1=NCCSCC1
Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 5907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.019
BindingDB Entry DOI: 10.7270/Q2JQ10HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50104653
PNG
(CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...)
Show SMILES NC1=NCCSCC1
Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.36E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of endothelial nitric oxide synthase


Bioorg Med Chem Lett 11: 2651-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00523-6
BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair