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BDBM50091791 4-Methyl-pyridine-2,3-diamine::CHEMBL61427

SMILES: Cc1ccnc(N)c1N

InChI Key: InChIKey=RWGGFJXJRPCCGD-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 = 50091791   
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))
BDBM50091791
PNG
(4-Methyl-pyridine-2,3-diamine | CHEMBL61427)
Show SMILES Cc1ccnc(N)c1N
Show InChI InChI=1S/C6H9N3/c1-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
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CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50091791
PNG
(4-Methyl-pyridine-2,3-diamine | CHEMBL61427)
Show SMILES Cc1ccnc(N)c1N
Show InChI InChI=1S/C6H9N3/c1-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair