BindingDB logo
myBDB logout

BDBM50155786 3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine::CHEMBL185833

SMILES: CCC1CSCCC(N)=N1

InChI Key: InChIKey=BJFMNSRYUNDINA-UHFFFAOYSA-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 = 50155786   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50155786
PNG
(3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL1...)
Show SMILES CCC1CSCCC(N)=N1
Show InChI InChI=1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 310n/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))
BDBM50155786
PNG
(3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL1...)
Show SMILES CCC1CSCCC(N)=N1
Show InChI InChI=1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+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, brain


(Homo sapiens (Human))
BDBM50155786
PNG
(3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL1...)
Show SMILES CCC1CSCCC(N)=N1
Show InChI InChI=1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 590n/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