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PubMed code 21047126

Compile data set for download or QSAR
Found 51 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
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331046
PNG
(2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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 5.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331035
PNG
((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1
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 9.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331046
PNG
(2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331044
PNG
((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331048
PNG
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1 |c:5|
Show InChI InChI=1S/C23H20N2O5/c1-3-29-23(28)21-20(15-10-14-6-4-5-7-18(14)24-12-15)17-9-8-16(27)11-19(17)30-22(21)25-13(2)26/h4-12,20,27H,3H2,1-2H3,(H,25,26)
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 20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331038
PNG
(2-(2-(((5R,8S,11R)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21-,22+/m1/s1
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 23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331044
PNG
((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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 23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331038
PNG
(2-(2-(((5R,8S,11R)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21-,22+/m1/s1
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 25n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331047
PNG
(2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1
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 35n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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 35n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331040
PNG
((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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 55n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331035
PNG
((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1
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 62n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331045
PNG
((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r|
Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1
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 94n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331040
PNG
((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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 96n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331037
PNG
((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1
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 196n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331047
PNG
(2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1
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 230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331043
PNG
(2-(2-(((4S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22+/m0/s1
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 242n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331039
PNG
(2-(2-(((5R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21+,22-/m0/s1
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 282n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331037
PNG
((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1
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 303n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331046
PNG
(2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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 357n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331045
PNG
((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r|
Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1
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 633n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331035
PNG
((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1
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 841n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331035
PNG
((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1
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 1.14E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331039
PNG
(2-(2-(((5R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21+,22-/m0/s1
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 1.19E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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 1.27E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331037
PNG
((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1
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 1.49E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331038
PNG
(2-(2-(((5R,8S,11R)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21-,22+/m1/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331041
PNG
((5S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-N-methyl-...)
Show SMILES CNC(=O)[C@@H]1CCSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|
Show InChI InChI=1S/C18H26N4O4S2/c1-20-17(25)14-7-9-28-27-8-6-13(19)16(24)22-15(18(26)21-14)10-11-2-4-12(23)5-3-11/h2-5,13-15,23H,6-10,19H2,1H3,(H,20,25)(H,21,26)(H,22,24)/t13-,14-,15-/m0/s1
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 1.75E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331044
PNG
((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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 3.46E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331039
PNG
(2-(2-(((5R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21+,22-/m0/s1
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 3.59E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331045
PNG
((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r|
Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1
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 5.42E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331046
PNG
(2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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 5.44E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331036
PNG
((S)-2-((S)-1-((S)-2-((4R,7S,10R)-10-amino-7-(4-hyd...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C35H42N8O8S2/c36-24-17-52-53-18-28(42-31(46)25(39-30(24)45)13-21-8-10-23(44)11-9-21)32(47)40-26(15-22-16-37-19-38-22)34(49)43-12-4-7-29(43)33(48)41-27(35(50)51)14-20-5-2-1-3-6-20/h1-3,5-6,8-11,16,19,24-29,44H,4,7,12-15,17-18,36H2,(H,37,38)(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,50,51)/t24-,25-,26-,27-,28-,29-/m0/s1
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 5.51E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331037
PNG
((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1
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 5.97E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331036
PNG
((S)-2-((S)-1-((S)-2-((4R,7S,10R)-10-amino-7-(4-hyd...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C35H42N8O8S2/c36-24-17-52-53-18-28(42-31(46)25(39-30(24)45)13-21-8-10-23(44)11-9-21)32(47)40-26(15-22-16-37-19-38-22)34(49)43-12-4-7-29(43)33(48)41-27(35(50)51)14-20-5-2-1-3-6-20/h1-3,5-6,8-11,16,19,24-29,44H,4,7,12-15,17-18,36H2,(H,37,38)(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,50,51)/t24-,25-,26-,27-,28-,29-/m0/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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 7.25E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331045
PNG
((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r|
Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1
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 9.22E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331039
PNG
(2-(2-(((5R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21+,22-/m0/s1
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 1.02E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331043
PNG
(2-(2-(((4S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22+/m0/s1
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 1.08E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331040
PNG
((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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 1.11E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331047
PNG
(2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1
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 1.19E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331040
PNG
((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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 1.38E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331047
PNG
(2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1
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 1.39E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331041
PNG
((5S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-N-methyl-...)
Show SMILES CNC(=O)[C@@H]1CCSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|
Show InChI InChI=1S/C18H26N4O4S2/c1-20-17(25)14-7-9-28-27-8-6-13(19)16(24)22-15(18(26)21-14)10-11-2-4-12(23)5-3-11/h2-5,13-15,23H,6-10,19H2,1H3,(H,20,25)(H,21,26)(H,22,24)/t13-,14-,15-/m0/s1
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 1.68E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331036
PNG
((S)-2-((S)-1-((S)-2-((4R,7S,10R)-10-amino-7-(4-hyd...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C35H42N8O8S2/c36-24-17-52-53-18-28(42-31(46)25(39-30(24)45)13-21-8-10-23(44)11-9-21)32(47)40-26(15-22-16-37-19-38-22)34(49)43-12-4-7-29(43)33(48)41-27(35(50)51)14-20-5-2-1-3-6-20/h1-3,5-6,8-11,16,19,24-29,44H,4,7,12-15,17-18,36H2,(H,37,38)(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,50,51)/t24-,25-,26-,27-,28-,29-/m0/s1
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 1.69E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331043
PNG
(2-(2-(((4S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22+/m0/s1
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 2.31E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50331043
PNG
(2-(2-(((4S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22+/m0/s1
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 2.61E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331044
PNG
((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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 4.89E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331038
PNG
(2-(2-(((5R,8S,11R)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21-,22+/m1/s1
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 5.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50331036
PNG
((S)-2-((S)-1-((S)-2-((4R,7S,10R)-10-amino-7-(4-hyd...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C35H42N8O8S2/c36-24-17-52-53-18-28(42-31(46)25(39-30(24)45)13-21-8-10-23(44)11-9-21)32(47)40-26(15-22-16-37-19-38-22)34(49)43-12-4-7-29(43)33(48)41-27(35(50)51)14-20-5-2-1-3-6-20/h1-3,5-6,8-11,16,19,24-29,44H,4,7,12-15,17-18,36H2,(H,37,38)(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,50,51)/t24-,25-,26-,27-,28-,29-/m0/s1
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 5.70E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells

J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%