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BDBM50081588 1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-propane-1,2-diol::CHEMBL318427

SMILES: CC(O)C(O)C1CNc2nc(N)nc(N)c2N1

InChI Key: InChIKey=NDSDGUULXHNXGA-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50081588   
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, endothelial


(Sus scrofa)
BDBM50081588
PNG
(1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-p...)
Show SMILES CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)


Article DOI: 10.1021/jm981129a
BindingDB Entry DOI: 10.7270/Q27H1HSV
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50081588
PNG
(1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-p...)
Show SMILES CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)
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n/an/a 9.00E+3n/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)


Article DOI: 10.1021/jm020074g
BindingDB Entry DOI: 10.7270/Q2571BBK
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50081588
PNG
(1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-p...)
Show SMILES CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)
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n/an/a 1.26E+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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50081588
PNG
(1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-p...)
Show SMILES CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)
PDB
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n/an/a 1.70E+3n/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
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50081588
PNG
(1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-p...)
Show SMILES CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.46E+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