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BDBM17853 3,5-Pyrazolediamine Inhibitor, 3::3-imino-4-[(E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]-3H-pyrazol-5-amine

SMILES: FC(F)(F)c1cccc(NN=c2c(=N)nnc2=N)c1

InChI Key: InChIKey=UWZUKULUSUBUOU-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 17853   
Target
(Institution)
LigandTarget
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
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM17853
PNG
(3,5-Pyrazolediamine Inhibitor, 3 | 3-imino-4-[(E)-...)
Show SMILES FC(F)(F)c1cccc(NN=c2c(=N)nnc2=N)c1 |(.72,8.79,;2.05,8.02,;2.82,9.36,;3.38,7.25,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)|
Show InChI InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 250n/an/an/an/a7.530



The Procter & Gamble Pharmaceuticals



Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...


Proteins 66: 538-46 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)