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2 similar compounds to monomer 50104653

Compile data set for download or QSAR
Wt: 144.2
BDBM50155791
Wt: 144.2
BDBM50155779

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50155791,50155779   
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


(Homo sapiens (Human))
BDBM50155779
PNG
(3-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CSCCC(N)=N1
Show InChI InChI=1/C6H12N2S/c1-5-4-9-3-2-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 810n/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))
BDBM50155779
PNG
(3-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CSCCC(N)=N1
Show InChI InChI=1/C6H12N2S/c1-5-4-9-3-2-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+3n/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, 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, 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

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 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, 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
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50155779
PNG
(3-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CSCCC(N)=N1
Show InChI InChI=1/C6H12N2S/c1-5-4-9-3-2-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+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