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BDBM50046325 (S)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid::2-(3-Amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid::CHEMBL70878

SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(O)=O

InChI Key: InChIKey=VGGGPCQERPFHOB-IHRRRGAJSA-N

Data: 3 KI  2 IC50

PDB links: 26 PDB IDs match 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 5 hits for monomerid = 50046325   
Target/Host
(Institution)
LigandTarget/Host
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
Leucine aminopeptidase


(Homo sapiens (Human))
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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Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inh...


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


(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
3D
3D Structure (crystal)
Aminopeptidase N


(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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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
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
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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n/an/a 2.00E+4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes


J Med Chem 36: 211-20 (1993)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase B


(Rattus norvegicus)
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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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver aminopeptidase B using 0.2 mM L-leucine-beta-naphthylamide by colorimetry


J Med Chem 20: 510-5 (1977)


Article DOI: 10.1021/jm00214a010
BindingDB Entry DOI: 10.7270/Q29W0H11
More data for this
Ligand-Target Pair