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PDB code 3N5X

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (422/422 = 100%)
(Rattus norvegicus (rat))
BDBM50341681
PNG
(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Show SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1
Show InChI InChI=1S/C21H25N5/c1-14-7-19(26-20(22)8-14)6-5-18-10-17(12-24-13-18)4-3-16-9-15(2)25-21(23)11-16/h7-13H,3-6H2,1-2H3,(H2,22,26)(H2,23,25)
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Similars

Article
PubMed
103n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by UV-vis spectrometric analysis


J Med Chem 54: 2039-48 (2011)


Article DOI: 10.1021/jm101071n
BindingDB Entry DOI: 10.7270/Q2571CB0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain

  (409/422 = 97%)
(Homo sapiens (Human))
BDBM50341681
PNG
(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Show SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1
Show InChI InChI=1S/C21H25N5/c1-14-7-19(26-20(22)8-14)6-5-18-10-17(12-24-13-18)4-3-16-9-15(2)25-21(23)11-16/h7-13H,3-6H2,1-2H3,(H2,22,26)(H2,23,25)
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UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
103n/an/an/an/an/an/an/an/a



University of California, Irvine



Assay Description
Inhibition assay using nitric oxide synthases.


Biochemistry 49: 10803-10 (2010)


Article DOI: 10.1021/bi1013479
BindingDB Entry DOI: 10.7270/Q2KS6Q51
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output