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BDBM50049257 Azepan-(2Z)-ylideneamine::CHEMBL315857::CHEMBL543752

SMILES: NC1=NCCCCC1

InChI Key: InChIKey=GTLJSJNKRLFVSJ-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50049257   
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, endothelial


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
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n/an/a 1.53E+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)


BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
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n/an/a 3.50E+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)


BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
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n/an/a 2.06E+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)


BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB

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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated from soluble cell extract of human endothelia constitutive enzyme (Endothelial nitric oxide synthase) and partially pur...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB

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Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
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Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
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CHEMBL
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated from soluble cell extract of human Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
MMDB

NCI pathway
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair