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BDBM50086460 4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-butyric acid::CHEMBL157846

SMILES: CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O

InChI Key: InChIKey=PYEUMXNYKBZUOL-UHFFFAOYNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086460   
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))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
PDB
MMDB

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of neuronal Nitric Oxide Synthase in human


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))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/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, endothelial


(Homo sapiens (Human))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+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