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PubMed code 12873488

Compile data set for download or QSAR
Found 11 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 N


(Homo sapiens (Human))
BDBM50131276
PNG
(CHEMBL328470 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO
Show InChI InChI=1S/C26H39ClN6O3/c1-20(2)19-33(26(35)18-25(34)30-36)12-4-11-32-15-13-31(14-16-32)10-3-8-28-23-7-9-29-24-17-21(27)5-6-22(23)24/h5-7,9,17,20,36H,3-4,8,10-16,18-19H2,1-2H3,(H,28,29)(H,30,34)
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n/an/a 28n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian Aminopeptidase N (APN)


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
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+/m1/s1
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n/an/a 284n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50131276
PNG
(CHEMBL328470 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO
Show InChI InChI=1S/C26H39ClN6O3/c1-20(2)19-33(26(35)18-25(34)30-36)12-4-11-32-15-13-31(14-16-32)10-3-8-28-23-7-9-29-24-17-21(27)5-6-22(23)24/h5-7,9,17,20,36H,3-4,8,10-16,18-19H2,1-2H3,(H,28,29)(H,30,34)
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n/an/a 854n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131275
PNG
(2-Amino-N-(3-{4-[3-(7-chloro-quinolin-4-ylamino)-p...)
Show SMILES CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)C(N)C(=O)NO
Show InChI InChI=1S/C26H40ClN7O3/c1-19(2)18-34(26(36)24(28)25(35)31-37)12-4-11-33-15-13-32(14-16-33)10-3-8-29-22-7-9-30-23-17-20(27)5-6-21(22)23/h5-7,9,17,19,24,37H,3-4,8,10-16,18,28H2,1-2H3,(H,29,30)(H,31,35)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian Aminopeptidase N (APN)


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50131273
PNG
(CHEMBL430903 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC(C)C
Show InChI InChI=1S/C30H47ClN6O3/c1-22(2)19-26(29(38)34-40)30(39)37(21-23(3)4)14-6-13-36-17-15-35(16-18-36)12-5-10-32-27-9-11-33-28-20-24(31)7-8-25(27)28/h7-9,11,20,22-23,26,40H,5-6,10,12-19,21H2,1-4H3,(H,32,33)(H,34,38)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131273
PNG
(CHEMBL430903 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC(C)C
Show InChI InChI=1S/C30H47ClN6O3/c1-22(2)19-26(29(38)34-40)30(39)37(21-23(3)4)14-6-13-36-17-15-35(16-18-36)12-5-10-32-27-9-11-33-28-20-24(31)7-8-25(27)28/h7-9,11,20,22-23,26,40H,5-6,10,12-19,21H2,1-4H3,(H,32,33)(H,34,38)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian Aminopeptidase N (APN)


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50131275
PNG
(2-Amino-N-(3-{4-[3-(7-chloro-quinolin-4-ylamino)-p...)
Show SMILES CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)C(N)C(=O)NO
Show InChI InChI=1S/C26H40ClN7O3/c1-19(2)18-34(26(36)24(28)25(35)31-37)12-4-11-33-15-13-32(14-16-33)10-3-8-29-22-7-9-30-23-17-20(27)5-6-21(22)23/h5-7,9,17,19,24,37H,3-4,8,10-16,18,28H2,1-2H3,(H,29,30)(H,31,35)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
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+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian Aminopeptidase N (APN)


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50131277
PNG
(CHEMBL419873 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES OC(=O)CCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
Show InChI InChI=1S/C27H38ClN5O3/c28-22-5-6-23-24(9-11-30-25(23)19-22)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-21-3-4-21)26(34)7-8-27(35)36/h5-6,9,11,19,21H,1-4,7-8,10,12-18,20H2,(H,29,30)(H,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50131274
PNG
(3-Amino-N-(3-{4-[3-(7-chloro-quinolin-4-ylamino)-p...)
Show SMILES NCCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
Show InChI InChI=1S/C26H39ClN6O/c27-22-5-6-23-24(8-11-30-25(23)19-22)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-21-3-4-21)26(34)7-9-28/h5-6,8,11,19,21H,1-4,7,9-10,12-18,20,28H2,(H,29,30)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131274
PNG
(3-Amino-N-(3-{4-[3-(7-chloro-quinolin-4-ylamino)-p...)
Show SMILES NCCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
Show InChI InChI=1S/C26H39ClN6O/c27-22-5-6-23-24(8-11-30-25(23)19-22)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-21-3-4-21)26(34)7-9-28/h5-6,8,11,19,21H,1-4,7,9-10,12-18,20,28H2,(H,29,30)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian Aminopeptidase N (APN)


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%