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BDBM50155791 6-Methyl-[1,4]thiazepan-(5E)-ylideneamine::CHEMBL188073

SMILES: CC1CSCCN=C1N

InChI Key: InChIKey=QJWUYRKXIRMOHR-UHFFFAOYNA-N

Data: 3 IC50

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 3 hits for monomerid = 50155791   
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))
BDBM50155791
PNG
(6-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CSCCN=C1N
Show InChI InChI=1/C6H12N2S/c1-5-4-9-3-2-8-6(5)7/h5H,2-4H2,1H3,(H2,7,8)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a>5.00E+4n/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))
BDBM50155791
PNG
(6-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CSCCN=C1N
Show InChI InChI=1/C6H12N2S/c1-5-4-9-3-2-8-6(5)7/h5H,2-4H2,1H3,(H2,7,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/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))
BDBM50155791
PNG
(6-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CSCCN=C1N
Show InChI InChI=1/C6H12N2S/c1-5-4-9-3-2-8-6(5)7/h5H,2-4H2,1H3,(H2,7,8)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+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