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Compile Data Set for Download or QSAR

Found 219 hits Enz. Inhib. hit(s) with Target = 'Cystinyl aminopeptidase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Cystinyl aminopeptidase


(Homo sapiens)
BDBM50346448
PNG
(2-(2-(((2S,6S,13S,E)-13-Amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CC\C=C\CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C29H36N4O6/c30-24-9-3-1-2-4-10-25(29(39)31-18-21-8-6-5-7-20(21)16-27(36)37)33-26(35)17-22(32-28(24)38)15-19-11-13-23(34)14-12-19/h1-2,5-8,11-14,22,24-25,34H,3-4,9-10,15-18,30H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/b2-1+/t22-,24-,25-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM50346455
PNG
(2-(2-(((2S,5S,13S,E)-13-Amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCCC\C=C\C[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C29H36N4O6/c30-23-10-4-2-1-3-5-11-24(28(38)31-18-21-9-7-6-8-20(21)17-26(35)36)32-29(39)25(33-27(23)37)16-19-12-14-22(34)15-13-19/h3,5-9,12-15,23-25,34H,1-2,4,10-11,16-18,30H2,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b5-3+/t23-,24-,25-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM50331048
PNG
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
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 recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
BDBM50331048
PNG
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
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


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM50346461
PNG
(2-(2-(((2S,5S,13S)-13-amino-2-(4-hydroxybenzyl)-3,...)
Show SMILES N[C@H]1CCCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C29H38N4O6/c30-23-10-4-2-1-3-5-11-24(28(38)31-18-21-9-7-6-8-20(21)17-26(35)36)32-29(39)25(33-27(23)37)16-19-12-14-22(34)15-13-19/h6-9,12-15,23-25,34H,1-5,10-11,16-18,30H2,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t23-,24-,25-/m0/s1
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25n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
BDBM50331048
PNG
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
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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30n/an/an/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins


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


(Homo sapiens)
BDBM50346452
PNG
(2-(2-(((2S,6S,13S,Z)-13-amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCC=CCN[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C28H35N5O6/c29-23-8-2-1-5-13-30-26(28(39)31-17-20-7-4-3-6-19(20)15-25(36)37)33-24(35)16-21(32-27(23)38)14-18-9-11-22(34)12-10-18/h1,3-7,9-12,21,23,26,30,34H,2,8,13-17,29H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/t21-,23-,26-/m0/s1
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30.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
BDBM50346456
PNG
(2-(2-(((2S,5S,12S,Z)-12-amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CC\C=C/CC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C28H34N4O6/c29-22-9-3-1-2-4-10-23(27(37)30-17-20-8-6-5-7-19(20)16-25(34)35)31-28(38)24(32-26(22)36)15-18-11-13-21(33)14-12-18/h1-2,5-8,11-14,22-24,33H,3-4,9-10,15-17,29H2,(H,30,37)(H,31,38)(H,32,36)(H,34,35)/b2-1-/t22-,23-,24-/m0/s1
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41.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
BDBM50346451
PNG
(2-(2-(((2S,5S,12S,E)-12-amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CC\C=C\CC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C28H34N4O6/c29-22-9-3-1-2-4-10-23(27(37)30-17-20-8-6-5-7-19(20)16-25(34)35)31-28(38)24(32-26(22)36)15-18-11-13-21(33)14-12-18/h1-2,5-8,11-14,22-24,33H,3-4,9-10,15-17,29H2,(H,30,37)(H,31,38)(H,32,36)(H,34,35)/b2-1+/t22-,23-,24-/m0/s1
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50n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
BDBM50047222
PNG
(2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...)
Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1
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52n/an/an/an/an/an/an/an/a



CCIPE-Faculté de Pharmacie

Curated by ChEMBL


Assay Description
Inhibitory activity against Leucine aminopeptidase


J Med Chem 36: 1369-79 (1993)

More data for this
Ligand-Target Pair
Cystinyl aminopeptidase


(Homo sapiens)
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
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...


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


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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62.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
BDBM50346453
PNG
(2-(2-(((2S,5S,12S)-12-amino-2-(4-hydroxybenzyl)-3,...)
Show SMILES N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C28H36N4O6/c29-22-9-3-1-2-4-10-23(27(37)30-17-20-8-6-5-7-19(20)16-25(34)35)31-28(38)24(32-26(22)36)15-18-11-13-21(33)14-12-18/h5-8,11-14,22-24,33H,1-4,9-10,15-17,29H2,(H,30,37)(H,31,38)(H,32,36)(H,34,35)/t22-,23-,24-/m0/s1
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64.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM50346458
PNG
((2S,5S,12S)-12-amino-N-benzyl-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H34N4O4/c27-21-10-6-1-2-7-11-22(25(33)28-17-19-8-4-3-5-9-19)29-26(34)23(30-24(21)32)16-18-12-14-20(31)15-13-18/h3-5,8-9,12-15,21-23,31H,1-2,6-7,10-11,16-17,27H2,(H,28,33)(H,29,34)(H,30,32)/t21-,22-,23-/m0/s1
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193n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
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
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


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


(Homo sapiens)
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
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


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


(Homo sapiens)
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
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


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


(Homo sapiens)
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
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


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


(Homo sapiens)
BDBM50346449
PNG
((2S,5S,12S,Z)-12-amino-N,2-dibenzyl-3,13-dioxo-1,4...)
Show SMILES N[C@H]1CC\C=C/CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H32N4O3/c27-21-15-9-1-2-10-16-22(25(32)28-18-20-13-7-4-8-14-20)29-26(33)23(30-24(21)31)17-19-11-5-3-6-12-19/h1-8,11-14,21-23H,9-10,15-18,27H2,(H,28,32)(H,29,33)(H,30,31)/b2-1-/t21-,22-,23-/m0/s1
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351n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
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
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,...


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


(Homo sapiens)
BDBM50449010
PNG
(CHEMBL3125960)
Show SMILES CCOC(=O)C1C(c2cnc3ccccc3c2)c2ccc(O)cc2OC1=N
Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(13-9-12-5-3-4-6-16(12)23-11-13)15-8-7-14(24)10-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3
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360n/an/an/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins


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


(Homo sapiens)
BDBM50449026
PNG
(CHEMBL3125936)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cccnc1
Show InChI InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)
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480n/an/an/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
BDBM50346450
PNG
((2S,5S,12S,E)-12-amino-N,2-dibenzyl-3,13-dioxo-1,4...)
Show SMILES N[C@H]1CC\C=C\CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H32N4O3/c27-21-15-9-1-2-10-16-22(25(32)28-18-20-13-7-4-8-14-20)29-26(33)23(30-24(21)31)17-19-11-5-3-6-12-19/h1-8,11-14,21-23H,9-10,15-18,27H2,(H,28,32)(H,29,33)(H,30,31)/b2-1+/t21-,22-,23-/m0/s1
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697n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


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


(Homo sapiens)
BDBM50415629
PNG
(CHEMBL1077583)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2c(CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C1=O)[nH]c1ccccc21
Show InChI InChI=1S/C44H55N7O8/c1-5-26(4)39(50-41(55)34(19-28-15-17-29(52)18-16-28)48-40(54)32(22-45)25(2)3)42(56)49-35-21-31-30-13-9-10-14-33(30)46-37(31)23-51(43(35)57)24-38(53)47-36(44(58)59)20-27-11-7-6-8-12-27/h6-18,25-26,32,34-36,39,46,52H,5,19-24,45H2,1-4H3,(H,47,53)(H,48,54)(H,49,56)(H,50,55)(H,58,59)/t26-,32-,34-,35-,36-,39-/m0/s1
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794n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline


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


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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832n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline


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


(Homo sapiens)
BDBM50449000
PNG
(CHEMBL3125942)
Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccnc2ccccc12
Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(14-9-10-23-16-6-4-3-5-13(14)16)15-8-7-12(24)11-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3
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900n/an/an/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins


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


(Homo sapiens)
BDBM50242871
PNG
(2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-ami...)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C35H44N4O6/c1-4-6-11-30(36)34(44)38-28-18-24(16-23-12-14-29(40)15-13-23)17-27(19-28)33(43)39-32(22(3)5-2)35(45)37-21-26-10-8-7-9-25(26)20-31(41)42/h7-10,12-15,17-19,22,30,32,40H,4-6,11,16,20-21,36H2,1-3H3,(H,37,45)(H,38,44)(H,39,43)(H,41,42)/t22-,30+,32+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells


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


(Homo sapiens)
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
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,...


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


(Homo sapiens)
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
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...


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


(Homo sapiens)
BDBM50242861
PNG
((S)-2-((S)-1-((S)-2-((2S,3S)-2-(3-(4-hydroxybenzyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C45H56N8O8/c1-5-27(4)39(52-40(55)31-19-30(18-29-13-15-34(54)16-14-29)20-32(22-31)49-42(57)38(46)26(2)3)43(58)50-35(23-33-24-47-25-48-33)44(59)53-17-9-12-37(53)41(56)51-36(45(60)61)21-28-10-7-6-8-11-28/h6-8,10-11,13-16,19-20,22,24-27,35-39,54H,5,9,12,17-18,21,23,46H2,1-4H3,(H,47,48)(H,49,57)(H,50,58)(H,51,56)(H,52,55)(H,60,61)/t27-,35-,36-,37-,38-,39-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


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


(Homo sapiens)
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
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,...


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


(Homo sapiens)
BDBM50242869
PNG
(2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-ami...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C34H42N4O6/c1-5-21(4)31(34(44)36-19-25-9-7-6-8-24(25)18-29(40)41)38-32(42)26-15-23(14-22-10-12-28(39)13-11-22)16-27(17-26)37-33(43)30(35)20(2)3/h6-13,15-17,20-21,30-31,39H,5,14,18-19,35H2,1-4H3,(H,36,44)(H,37,43)(H,38,42)(H,40,41)/t21-,30+,31+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


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


(Homo sapiens)
BDBM50242868
PNG
(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-amino-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)NCc1ccccc1C(O)=O
Show InChI InChI=1S/C33H40N4O6/c1-5-20(4)29(32(41)35-18-23-8-6-7-9-27(23)33(42)43)37-30(39)24-15-22(14-21-10-12-26(38)13-11-21)16-25(17-24)36-31(40)28(34)19(2)3/h6-13,15-17,19-20,28-29,38H,5,14,18,34H2,1-4H3,(H,35,41)(H,36,40)(H,37,39)(H,42,43)/t20-,28+,29+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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