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BDBM50141084 6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyridin-2-ylamine::CHEMBL43245

SMILES: CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12

InChI Key: InChIKey=WPECHTREAJBIKW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50141084   
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))
BDBM50141084
PNG
(6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyr...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h3-11H,12-13H2,1-2H3,(H2,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human inducible nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50141084
PNG
(6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyr...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h3-11H,12-13H2,1-2H3,(H2,20,21)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.79E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50141084
PNG
(6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyr...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h3-11H,12-13H2,1-2H3,(H2,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 167n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50141084
PNG
(6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyr...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h3-11H,12-13H2,1-2H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair