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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial' and Monomerid = 50098937   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/s2
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 680n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...


J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/s2
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/s2
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 13: 1981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00351-2
BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/s2
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelial nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/s2
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by endothelial NOS (e NOS) from HUVEC cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00119-6
BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for for its inhibitory activity against endothelial NO2- synthesis


J Med Chem 37: 1899-907 (1994)


Article DOI: 10.1021/jm00039a001
BindingDB Entry DOI: 10.7270/Q2VQ3391
More data for this
Ligand-Target Pair