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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial' and Monomerid = 50226527   
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


(Bos taurus (bovine))
BDBM50226527
PNG
(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)
Show SMILES CC(N)=NCc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...


ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50226527
PNG
(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)
Show SMILES CC(N)=NCc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+6n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin


Bioorg Med Chem Lett 20: 6495-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.059
BindingDB Entry DOI: 10.7270/Q2GX4BTP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50226527
PNG
(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)
Show SMILES CC(N)=NCc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
PDB

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+6n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...


J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair