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PubMed code 1738140

Compile data set for download or QSAR
Found 26 hits of 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 B


(Homo sapiens)
BDBM50008434
PNG
(5-Amino-2-benzyl-7-methyl-4-oxo-octanoic acid | CH...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3/c1-11(2)8-14(17)15(18)10-13(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,17H2,1-2H3,(H,19,20)/t13?,14-/m0/s1
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170n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008431
PNG
(3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
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510n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008430
PNG
(3-Amino-N-(3-methyl-butyl)-2-oxo-4-phenyl-butyrami...)
Show SMILES CC(C)CCNC(=O)C(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C15H22N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,19)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008430
PNG
(3-Amino-N-(3-methyl-butyl)-2-oxo-4-phenyl-butyrami...)
Show SMILES CC(C)CCNC(=O)C(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C15H22N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,19)
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1.50E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008433
PNG
(3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(=O)[C@@H](N)CC(C)C
Show InChI InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008430
PNG
(3-Amino-N-(3-methyl-butyl)-2-oxo-4-phenyl-butyrami...)
Show SMILES CC(C)CCNC(=O)C(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C15H22N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,19)
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2.50E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aminopeptidase B


(Homo sapiens)
BDBM50008433
PNG
(3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(=O)[C@@H](N)CC(C)C
Show InChI InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008428
PNG
(3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl...)
Show SMILES CC(C)CCNC(=O)[C@@H](O)[C@H](N)CC(C)C
Show InChI InChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
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5.40E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008432
PNG
(3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(=O)[C@H](N)CC(C)C
Show InChI InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m1/s1
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6.50E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008433
PNG
(3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(=O)[C@@H](N)CC(C)C
Show InChI InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008432
PNG
(3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(=O)[C@H](N)CC(C)C
Show InChI InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m1/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008432
PNG
(3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(=O)[C@H](N)CC(C)C
Show InChI InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008431
PNG
(3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aminopeptidase N


(Homo sapiens)
BDBM50008428
PNG
(3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl...)
Show SMILES CC(C)CCNC(=O)[C@@H](O)[C@H](N)CC(C)C
Show InChI InChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008431
PNG
(3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
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3.90E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008434
PNG
(5-Amino-2-benzyl-7-methyl-4-oxo-octanoic acid | CH...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3/c1-11(2)8-14(17)15(18)10-13(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,17H2,1-2H3,(H,19,20)/t13?,14-/m0/s1
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5.70E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008434
PNG
(5-Amino-2-benzyl-7-methyl-4-oxo-octanoic acid | CH...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3/c1-11(2)8-14(17)15(18)10-13(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,17H2,1-2H3,(H,19,20)/t13?,14-/m0/s1
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7.90E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase; Kis was reported


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008427
PNG
(5-Amino-2,7-dimethyl-4-oxo-octanoic acid | CHEMBL3...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(C)C(O)=O
Show InChI InChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008434
PNG
(5-Amino-2-benzyl-7-methyl-4-oxo-octanoic acid | CH...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3/c1-11(2)8-14(17)15(18)10-13(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,17H2,1-2H3,(H,19,20)/t13?,14-/m0/s1
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2.60E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase; Kii was reported


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008428
PNG
(3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl...)
Show SMILES CC(C)CCNC(=O)[C@@H](O)[C@H](N)CC(C)C
Show InChI InChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008429
PNG
((3S)-3-amino-5-methylhexan-2-one | 3-Amino-5-methy...)
Show SMILES CC(C)C[C@H](N)C(C)=O
Show InChI InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
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4.30E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008429
PNG
((3S)-3-amino-5-methylhexan-2-one | 3-Amino-5-methy...)
Show SMILES CC(C)C[C@H](N)C(C)=O
Show InChI InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
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>6.00E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008427
PNG
(5-Amino-2,7-dimethyl-4-oxo-octanoic acid | CHEMBL3...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(C)C(O)=O
Show InChI InChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
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6.60E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase; Kis was reported


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008427
PNG
(5-Amino-2,7-dimethyl-4-oxo-octanoic acid | CHEMBL3...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(C)C(O)=O
Show InChI InChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
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9.40E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase; Kii was reported


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008429
PNG
((3S)-3-amino-5-methylhexan-2-one | 3-Amino-5-methy...)
Show SMILES CC(C)C[C@H](N)C(C)=O
Show InChI InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008427
PNG
(5-Amino-2,7-dimethyl-4-oxo-octanoic acid | CHEMBL3...)
Show SMILES CC(C)C[C@H](N)C(=O)CC(C)C(O)=O
Show InChI InChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.10E+6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards cytosolic aminopeptidase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%