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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, brain' and Monomerid = 50081589   
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, brain


(Homo sapiens (Human))
BDBM50081589
PNG
(CHEMBL101399 | N*4*,N*4*-Dibenzyl-6-phenyl-pteridi...)
Show SMILES Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(cnc2n1)-c1ccccc1
Show InChI InChI=1S/C26H22N6/c27-26-30-24-23(29-22(16-28-24)21-14-8-3-9-15-21)25(31-26)32(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H2,27,28,30,31)
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MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+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))
BDBM50081589
PNG
(CHEMBL101399 | N*4*,N*4*-Dibenzyl-6-phenyl-pteridi...)
Show SMILES Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(cnc2n1)-c1ccccc1
Show InChI InChI=1S/C26H22N6/c27-26-30-24-23(29-22(16-28-24)21-14-8-3-9-15-21)25(31-26)32(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H2,27,28,30,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.29E+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