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BDBM50065806 CHEMBL544559::N-(3-Aminomethyl-phenyl)-N'-methyl-acetamidine

SMILES: CNC(C)=Nc1cccc(CN)c1

InChI Key: InChIKey=NTATXNKJNSAJKV-UHFFFAOYSA-N

Data: 3 KI

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 = 50065806   
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))
BDBM50065806
PNG
(CHEMBL544559 | N-(3-Aminomethyl-phenyl)-N'-methyl-...)
Show SMILES CNC(C)=Nc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12-2)13-10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3,(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50065806
PNG
(CHEMBL544559 | N-(3-Aminomethyl-phenyl)-N'-methyl-...)
Show SMILES CNC(C)=Nc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12-2)13-10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3,(H,12,13)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50065806
PNG
(CHEMBL544559 | N-(3-Aminomethyl-phenyl)-N'-methyl-...)
Show SMILES CNC(C)=Nc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12-2)13-10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair