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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 298.4
BDBM50141708

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50141708
PNG
((R)-3-Amino-2-hydroxy-5-isopropylsulfanyl-pentanoi...)
Show SMILES CC(C)SCC[C@@H](N)[C@H](O)C(=O)NOc1ccccc1
Show InChI InChI=1S/C14H22N2O3S/c1-10(2)20-9-8-12(15)13(17)14(18)16-19-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human methionine aminopeptidase-2


Bioorg Med Chem Lett 14: 865-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.031
BindingDB Entry DOI: 10.7270/Q2Z31Z3N
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50141708
PNG
((R)-3-Amino-2-hydroxy-5-isopropylsulfanyl-pentanoi...)
Show SMILES CC(C)SCC[C@@H](N)[C@H](O)C(=O)NOc1ccccc1
Show InChI InChI=1S/C14H22N2O3S/c1-10(2)20-9-8-12(15)13(17)14(18)16-19-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human methionine aminopeptidase-1


Bioorg Med Chem Lett 14: 865-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.031
BindingDB Entry DOI: 10.7270/Q2Z31Z3N
More data for this
Ligand-Target Pair