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PDB code 4FKK

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
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

  (901/902 > 99%)
(Sus scrofa (Pig))
BDBM50367209
PNG
(BESTATIN HYDROCHLORIDE | Ubenimex)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/s2
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and Ki* was reported which is obtained by the equatio...


J Med Chem 27: 417-22 (1984)


Article DOI: 10.1021/jm00370a001
BindingDB Entry DOI: 10.7270/Q280535G
More data for this
Ligand-Target Pair
Aminopeptidase N

  (901/902 > 99%)
(Sus scrofa (Pig))
BDBM50367209
PNG
(BESTATIN HYDROCHLORIDE | Ubenimex)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/s2
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inhibition constant was determined after preincubating the enzyme and in...


J Med Chem 27: 417-22 (1984)


Article DOI: 10.1021/jm00370a001
BindingDB Entry DOI: 10.7270/Q280535G
More data for this
Ligand-Target Pair
Aminopeptidase N

  (901/902 > 99%)
(Sus scrofa (Pig))
BDBM50367209
PNG
(BESTATIN HYDROCHLORIDE | Ubenimex)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/s2
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and the Ki was reported which is = k2/k1


J Med Chem 27: 417-22 (1984)


Article DOI: 10.1021/jm00370a001
BindingDB Entry DOI: 10.7270/Q280535G
More data for this
Ligand-Target Pair
Aminopeptidase N

  (901/902 > 99%)
(Sus scrofa (Pig))
BDBM50046325
PNG
((S)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyryla...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and Ki* was reported which is obtained by the equatio...


J Med Chem 27: 417-22 (1984)


Article DOI: 10.1021/jm00370a001
BindingDB Entry DOI: 10.7270/Q280535G
More data for this
Ligand-Target Pair
Aminopeptidase N

  (901/902 > 99%)
(Sus scrofa (Pig))
BDBM50046325
PNG
((S)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyryla...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14-/m0/s1
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CHEMBL
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PubMed
5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and the Ki was reported which is = k2/k1


J Med Chem 27: 417-22 (1984)


Article DOI: 10.1021/jm00370a001
BindingDB Entry DOI: 10.7270/Q280535G
More data for this
Ligand-Target Pair
Aminopeptidase N

  (901/902 > 99%)
(Sus scrofa (Pig))
BDBM50367209
PNG
(BESTATIN HYDROCHLORIDE | Ubenimex)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/s2
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n/an/a 3.03E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against aminopeptidase M


J Med Chem 27: 417-22 (1984)


Article DOI: 10.1021/jm00370a001
BindingDB Entry DOI: 10.7270/Q280535G
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output