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BDBM50150885 6-(4-Dimethylaminomethyl-5-ethyl-2-methoxy-phenyl)-pyridin-2-ylamine::CHEMBL364188

SMILES: CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1

InChI Key: InChIKey=PUBVCUKUEHJWSF-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 = 50150885   
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))
BDBM50150885
PNG
(6-(4-Dimethylaminomethyl-5-ethyl-2-methoxy-phenyl)...)
Show SMILES CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C17H23N3O/c1-5-12-9-14(15-7-6-8-17(18)19-15)16(21-4)10-13(12)11-20(2)3/h6-10H,5,11H2,1-4H3,(H2,18,19)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 54n/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))
BDBM50150885
PNG
(6-(4-Dimethylaminomethyl-5-ethyl-2-methoxy-phenyl)...)
Show SMILES CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C17H23N3O/c1-5-12-9-14(15-7-6-8-17(18)19-15)16(21-4)10-13(12)11-20(2)3/h6-10H,5,11H2,1-4H3,(H2,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.83E+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