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1 similar compounds to monomer 50086470

Compile data set for download or QSAR
Wt: 219.3
BDBM50086467
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50086467   
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))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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PubMed
n/an/a 70n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS by microtiter plate assay


Bioorg Med Chem Lett 21: 3037-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.038
BindingDB Entry DOI: 10.7270/Q2FB538T
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB

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CHEMBL
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PC sid
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Article
PubMed
n/an/a 4.66E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS by microtiter plate assay


Bioorg Med Chem Lett 21: 3037-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.038
BindingDB Entry DOI: 10.7270/Q2FB538T
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4.66E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


Article DOI: 10.1016/s0960-894x(00)00055-x
BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


Article DOI: 10.1016/s0960-894x(00)00055-x
BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.45E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


Article DOI: 10.1016/s0960-894x(00)00055-x
BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4.68E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB
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Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS by microtiter plate assay


Bioorg Med Chem Lett 21: 3037-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.038
BindingDB Entry DOI: 10.7270/Q2FB538T
More data for this
Ligand-Target Pair