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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'drag' and Initial = 'm'   
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
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497553
PNG
(CHEMBL3359696)
Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
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0.00800n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497551
PNG
(CHEMBL3359700)
Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)
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0.0110n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497552
PNG
(CHEMBL3359698)
Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
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0.0120n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497556
PNG
(CHEMBL3359699)
Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)
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0.0140n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497548
PNG
(CHEMBL3359691)
Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)
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0.0160n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497549
PNG
(CHEMBL3359690)
Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)
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0.0190n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497543
PNG
(CHEMBL3359693)
Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)
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0.0280n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497544
PNG
(CHEMBL3359688)
Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)
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0.0300n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497545
PNG
(CHEMBL3359697)
Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
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0.0350n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497547
PNG
(CHEMBL3359694)
Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)
PDB
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0.0380n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497557
PNG
(CHEMBL3359692)
Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)
PDB
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0.0530n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497546
PNG
(CHEMBL3359695)
Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)
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0.154n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497543
PNG
(CHEMBL3359693)
Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)
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0.700n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497544
PNG
(CHEMBL3359688)
Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)
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0.800n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497553
PNG
(CHEMBL3359696)
Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
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1.90n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497545
PNG
(CHEMBL3359697)
Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
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4n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497556
PNG
(CHEMBL3359699)
Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)
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5.5n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497551
PNG
(CHEMBL3359700)
Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)
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7.40n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497552
PNG
(CHEMBL3359698)
Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
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11n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497557
PNG
(CHEMBL3359692)
Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)
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12n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497547
PNG
(CHEMBL3359694)
Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)
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15n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497546
PNG
(CHEMBL3359695)
Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)
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23n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497548
PNG
(CHEMBL3359691)
Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)
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41n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497554
PNG
(CHEMBL3359689)
Show SMILES Cl.NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C11H12N4O2.ClH/c12-10(11(16)14-17)8-2-4-9(5-3-8)15-7-1-6-13-15;/h1-7,10,17H,12H2,(H,14,16);1H
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75n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497554
PNG
(CHEMBL3359689)
Show SMILES Cl.NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C11H12N4O2.ClH/c12-10(11(16)14-17)8-2-4-9(5-3-8)15-7-1-6-13-15;/h1-7,10,17H,12H2,(H,14,16);1H
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86n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497549
PNG
(CHEMBL3359690)
Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)
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113n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497555
PNG
(CHEMBL3359686)
Show SMILES CC(C)(C)OC(=O)NC(C(O)=O)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)18-13(14(20)21)11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,1-3H3,(H,18,22)(H,20,21)
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464n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497555
PNG
(CHEMBL3359686)
Show SMILES CC(C)(C)OC(=O)NC(C(O)=O)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)18-13(14(20)21)11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,1-3H3,(H,18,22)(H,20,21)
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>500n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497550
PNG
(CHEMBL3359687)
Show SMILES Cl.NC(C(O)=O)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C11H11N3O2.ClH/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14;/h1-7,10H,12H2,(H,15,16);1H
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>500n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497550
PNG
(CHEMBL3359687)
Show SMILES Cl.NC(C(O)=O)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C11H11N3O2.ClH/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14;/h1-7,10H,12H2,(H,15,16);1H
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>500n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50337148
PNG
((RS)-1-amino-5-phenylpentylphosphonic acid | CHEMB...)
Show SMILES NC(CCCCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C11H18NO3P/c12-11(16(13,14)15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,12H2,(H2,13,14,15)
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3.69E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50078539
PNG
(CHEMBL3414950)
Show SMILES CCCC(CCC)C(N)P(O)(O)=O
Show InChI InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)
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4.90E+3n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50337147
PNG
((RS)-1-amino-3-cyclohexylpropylphosphonic acid | C...)
Show SMILES NC(CCC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C9H20NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,10H2,(H2,11,12,13)
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9.90E+3n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50316049
PNG
(1-amino-3-phenylpropylphosphonic acid | CHEMBL1090...)
Show SMILES NC(CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
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1.59E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50337147
PNG
((RS)-1-amino-3-cyclohexylpropylphosphonic acid | C...)
Show SMILES NC(CCC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C9H20NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,10H2,(H2,11,12,13)
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3.71E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50337146
PNG
((RS)-1-amino-4-cyclohexylbutylphosphonic acid | CH...)
Show SMILES NC(CCCC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C10H22NO3P/c11-10(15(12,13)14)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,11H2,(H2,12,13,14)
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4.16E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50024597
PNG
((S)-1-Ammonium-3-methyl-butane-1-phosphonic acid a...)
Show SMILES CC(C)C[C@@H]([NH3+])P(O)([O-])=O
Show InChI InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50337150
PNG
((RS)-1-amino-2-cyclohexylethylphosphonic acid | CH...)
Show SMILES NC(CC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)
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5.47E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50078540
PNG
(CHEMBL1673077)
Show SMILES CCCC(C)C(N)P(O)(O)=O
Show InChI InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)
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5.48E+4n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50316031
PNG
(CHEMBL1090366 | amino(phenyl)methylphosphonic acid)
Show SMILES NC(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)
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1.12E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50337149
PNG
((R)-amino(cyclohexyl)methylphosphonic acid | CHEMB...)
Show SMILES N[C@@H](C1CCCCC1)P(O)(O)=O |r|
Show InChI InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)/t7-/m1/s1
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1.61E+5n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50337150
PNG
((RS)-1-amino-2-cyclohexylethylphosphonic acid | CH...)
Show SMILES NC(CC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50078541
PNG
(CHEMBL3414949)
Show SMILES NC(C1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50337151
PNG
((S)-amino(cyclohexyl)methylphosphonic acid | CHEMB...)
Show SMILES N[C@H](C1CCCCC1)P(O)(O)=O |r|
Show InChI InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)/t7-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase N


Antimicrob Agents Chemother 52: 3221-8 (2008)


Article DOI: 10.1128/AAC.01327-07
BindingDB Entry DOI: 10.7270/Q2S75GMX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204146
PNG
(1-amino-2-phenylethyl(1-hydroxy-3-phenylpropyl)pho...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H22NO3P/c18-16(13-15-9-5-2-6-10-15)22(20,21)17(19)12-11-14-7-3-1-4-8-14/h1-10,16,20-22H,11-13,18H2
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n/an/a 240n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204160
PNG
(1-amino-2-methylpropyl(1-hydroxy-3-phenylpropyl)ph...)
Show SMILES CC(C)C(N)P(O)(O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C13H22NO3P/c1-10(2)13(14)18(16,17)12(15)9-8-11-6-4-3-5-7-11/h3-7,10,13,16-18H,8-9,14H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204163
PNG
(CHEMBL227345 | alpha1-(1-amino-3-methylbutane)-alp...)
Show SMILES CC(C)CC(N)=P(O)(O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H21N2O3P/c1-10(2)8-12(14)19(17,18)13(16)15-9-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9,14H2,1-2H3,(H,15,16)
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n/an/a 530n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204159
PNG
(CHEMBL226863 | alpha1-(1-amino-1-phenylmethane)-al...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H20NO3P/c17-15(11-13-7-3-1-4-8-13)21(19,20)16(18)12-14-9-5-2-6-10-14/h1-10,15,19-21H,11-12,17H2
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n/an/a 550n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204161
PNG
(CHEMBL227290 | bis-alpha-(1-amino-1-phenylmethane)...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C16H21N2O2P/c17-15(11-13-7-3-1-4-8-13)21(19,20)16(18)12-14-9-5-2-6-10-14/h1-10,15,18-21H,11-12,17H2
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n/an/a 600n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204157
PNG
(CHEMBL227340 | alpha1-(1-amino-1-phenylmethane)-al...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C17H23N2O2P/c18-16(12-11-14-7-3-1-4-8-14)22(20,21)17(19)13-15-9-5-2-6-10-15/h1-10,17-18,20-22H,11-13,19H2
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n/an/a 710n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
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