BindingDB logo
myBDB logout

BDBM50170719 2-Amino-propionic acid 2-amino-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl ester::CHEMBL359988

SMILES: CC(N)C(=O)OCC1CNc2nc(N)[nH]c(=O)c2N1

InChI Key: InChIKey=AECPLDIAUVDACN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50170719   
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))
BDBM50170719
PNG
(2-Amino-propionic acid 2-amino-4-oxo-3,4,5,6,7,8-h...)
Show SMILES CC(N)C(=O)OCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C10H16N6O3/c1-4(11)9(18)19-3-5-2-13-7-6(14-5)8(17)16-10(12)15-7/h4-5,14H,2-3,11H2,1H3,(H4,12,13,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.17E+5n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50170719
PNG
(2-Amino-propionic acid 2-amino-4-oxo-3,4,5,6,7,8-h...)
Show SMILES CC(N)C(=O)OCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C10H16N6O3/c1-4(11)9(18)19-3-5-2-13-7-6(14-5)8(17)16-10(12)15-7/h4-5,14H,2-3,11H2,1H3,(H4,12,13,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-II with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50170719
PNG
(2-Amino-propionic acid 2-amino-4-oxo-3,4,5,6,7,8-h...)
Show SMILES CC(N)C(=O)OCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C10H16N6O3/c1-4(11)9(18)19-3-5-2-13-7-6(14-5)8(17)16-10(12)15-7/h4-5,14H,2-3,11H2,1H3,(H4,12,13,15,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-III with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair