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BDBM50148165 (4,6-Dimethyl-pyridin-2-yl)-methyl-amine::CHEMBL112139

SMILES: CNc1cc(C)cc(C)n1

InChI Key: InChIKey=ZZJZYPNBSXHQQS-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 = 50148165   
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, inducible


(Homo sapiens (Human))
BDBM50148165
PNG
((4,6-Dimethyl-pyridin-2-yl)-methyl-amine | CHEMBL1...)
Show SMILES CNc1cc(C)cc(C)n1
Show InChI InChI=1S/C8H12N2/c1-6-4-7(2)10-8(5-6)9-3/h4-5H,1-3H3,(H,9,10)
PDB
MMDB

NCI pathway
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PC sid
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Article
PubMed
n/an/a 8.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50148165
PNG
((4,6-Dimethyl-pyridin-2-yl)-methyl-amine | CHEMBL1...)
Show SMILES CNc1cc(C)cc(C)n1
Show InChI InChI=1S/C8H12N2/c1-6-4-7(2)10-8(5-6)9-3/h4-5H,1-3H3,(H,9,10)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50148165
PNG
((4,6-Dimethyl-pyridin-2-yl)-methyl-amine | CHEMBL1...)
Show SMILES CNc1cc(C)cc(C)n1
Show InChI InChI=1S/C8H12N2/c1-6-4-7(2)10-8(5-6)9-3/h4-5H,1-3H3,(H,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair