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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.4
BDBM50252640

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

Found 1 hit 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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50252640
PNG
((2R)-N-[5-(4-Nitrorophenyl)-1,3,4-thiadiazol-2-yl]...)
Show SMILES C[C@@H](NC(=O)\C=C\c1ccc(O)cc1)C(=O)Nc1nnc(s1)-c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C20H17N5O5S/c1-12(21-17(27)11-4-13-2-9-16(26)10-3-13)18(28)22-20-24-23-19(31-20)14-5-7-15(8-6-14)25(29)30/h2-12,26H,1H3,(H,21,27)(H,22,24,28)/b11-4+/t12-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.41E+4n/an/an/an/an/an/a



ShanDong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomes aminopeptidase N


Bioorg Med Chem 16: 6663-8 (2008)


Article DOI: 10.1016/j.bmc.2008.05.081
BindingDB Entry DOI: 10.7270/Q2RB74DK
More data for this
Ligand-Target Pair