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BDBM50115150 2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one::CHEMBL420453

SMILES: CNCC1CNc2nc(N)[nH]c(=O)c2N1

InChI Key: InChIKey=LHIQNSIRCHEIBK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50115150   
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))
BDBM50115150
PNG
(2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-...)
Show SMILES CNCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)


J Med Chem 45: 2923-41 (2002)


BindingDB Entry DOI: 10.7270/Q2571BBK
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50115150
PNG
(2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-...)
Show SMILES CNCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.12E+3n/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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50115150
PNG
(2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-...)
Show SMILES CNCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+4n/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, brain


(Homo sapiens (Human))
BDBM50115150
PNG
(2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-...)
Show SMILES CNCC1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/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