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BDBM17868 (2S)-2-amino-4-(methylsulfanyl)-1-(pyridin-2-yl)butan-1-one::keto-heterocycle inhibitor, 2

SMILES: CSCC[C@H](N)C(=O)c1ccccn1

InChI Key: InChIKey=ARURVSWVWKOIIJ-SVGMAFHSNA-N

Data: 1 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 1 hit for monomerid = 17868   
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)


(Staphylococcus aureus)
BDBM17868
PNG
((2S)-2-amino-4-(methylsulfanyl)-1-(pyridin-2-yl)bu...)
Show SMILES CSCC[C@H](N)C(=O)c1ccccn1 |r|
Show InChI InChI=1/C10H14N2OS/c1-14-7-5-8(11)10(13)9-4-2-3-6-12-9/h2-4,6,8H,5,7,11H2,1H3/t8-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.60E+4n/an/an/an/a7.522



Morphochem AG



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


J Med Chem 47: 1325-8 (2004)

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