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BDBM50150887 6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-phenyl]-pyridin-2-ylamine::CHEMBL183892

SMILES: CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1

InChI Key: InChIKey=BKULSIOVOCWIBT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50150887   
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))
BDBM50150887
PNG
(6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-ph...)
Show SMILES CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C18H25N3O2/c1-5-13-11-14(15-7-6-8-18(19)20-15)17(22-4)12-16(13)23-10-9-21(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase in human


Bioorg Med Chem Lett 14: 4511-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.043
BindingDB Entry DOI: 10.7270/Q28S4QP6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150887
PNG
(6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-ph...)
Show SMILES CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C18H25N3O2/c1-5-13-11-14(15-7-6-8-18(19)20-15)17(22-4)12-16(13)23-10-9-21(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.71E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against endothelial nitric oxide synthase in human


Bioorg Med Chem Lett 14: 4511-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.043
BindingDB Entry DOI: 10.7270/Q28S4QP6
More data for this
Ligand-Target Pair