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Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'theodorakis' and Initial = 'ea'   
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
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50088529
PNG
(CHEMBL3576924)
Show SMILES CC1CC23OC(=O)C(=C2O)C(=O)C2CSC(C2C(C)C\C=C\CC(O)C\C=C\C=C\CC3C=C1C)C(=O)C(O)=O |c:7,35,t:22,28,30|
Show InChI InChI=1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,35H,10-13,15-16H2,1-3H3,(H,36,37)/b6-4+,7-5+,9-8+
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n/an/a 3.60n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of CCK-B receptor in rat cerebral cortex


J Nat Prod 78: 562-75 (2015)


Article DOI: 10.1021/np500757w
BindingDB Entry DOI: 10.7270/Q2HQ41NZ
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076744
PNG
(CHEMBL3416733)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 11n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076744
PNG
(CHEMBL3416733)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 30n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50076744
PNG
(CHEMBL3416733)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 33n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor antagonist protein


(Mus musculus)
BDBM50077028
PNG
(CHEMBL3416692)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-25(33)30(38)35-27-16-21(14-15-24(27)32)29(37)36-28(31(39)40-19-20-9-5-4-6-10-20)17-22-18-34-26-13-8-7-11-23(22)26/h4-11,13-16,18,25,28,34H,2-3,12,17,19,32-33H2,1H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IRAP using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence assay


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077028
PNG
(CHEMBL3416692)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-25(33)30(38)35-27-16-21(14-15-24(27)32)29(37)36-28(31(39)40-19-20-9-5-4-6-10-20)17-22-18-34-26-13-8-7-11-23(22)26/h4-11,13-16,18,25,28,34H,2-3,12,17,19,32-33H2,1H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077019
PNG
(CHEMBL3416727)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H29N5O4/c1-2-3-7-17(25)23(31)28-20-10-9-14(11-18(20)26)22(30)29-21(24(32)33)12-15-13-27-19-8-5-4-6-16(15)19/h4-6,8-11,13,17,21,27H,2-3,7,12,25-26H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21-/m0/s1
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n/an/a 237n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077029
PNG
(CHEMBL3416693)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H29N5O4/c1-2-3-7-18(26)23(31)28-20-11-14(9-10-17(20)25)22(30)29-21(24(32)33)12-15-13-27-19-8-5-4-6-16(15)19/h4-6,8-11,13,18,21,27H,2-3,7,12,25-26H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t18-,21-/m0/s1
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n/an/a 296n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum chaperone BiP


(Homo sapiens (Human))
BDBM50088528
PNG
(CHEMBL3576921)
Show SMILES [H][C@@]1(C[C@H](O)[C@H](O)[C@@H](C)O1)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@]([H])(O[C@@H]3[C@H](C)CCC[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]4(CC)[C@]5([H])[C@@H](C)C(=O)C[C@H](O)[C@@]5([H])C=C(C)[C@@]4([H])\C(CC)=C/[C@H](CO)C[C@H]3C)O[C@@H]2C)[C@H](O)[C@@H]1OC |r,wU:39.39,60.64,58.61,48.51,36.37,26.27,25.25,71.76,22.23,19.20,18.18,15.16,82.90,80.87,12.13,1.0,3.3,5.5,65.70,wD:51.54,53.56,75.81,31.32,78.85,11.11,7.7,c:45,74,t:34,66,(-10.48,8.45,;-9.55,8.89,;-8.05,8.71,;-7.15,9.97,;-5.93,9.85,;-7.8,11.37,;-7.08,12.37,;-9.33,11.51,;-9.84,12.63,;-10.22,10.26,;-8.91,7.49,;-9.8,6.24,;-11.34,6.38,;-11.76,7.32,;-12.23,5.13,;-11.57,3.76,;-12.49,3.32,;-10.92,2.36,;-11.82,1.1,;-11.18,-.3,;-10.16,-.4,;-12.07,-1.55,;-13.58,-1.37,;-14.51,-1.8,;-12.94,-2.77,;-13.84,-4.03,;-15.24,-3.38,;-14.93,-2.19,;-16.78,-3.28,;-18.25,-3.74,;-19.45,-4.7,;-20.23,-6.03,;-20.45,-4.82,;-21.44,-5.05,;-22.88,-5.6,;-23.83,-4.82,;-23.12,-7.12,;-24.27,-7.56,;-21.93,-8.09,;-20.47,-7.55,;-18.64,-7.59,;-18.05,-9.01,;-16.84,-9.23,;-19.31,-10.34,;-20.15,-9.05,;-21.29,-9.53,;-18.05,-11.24,;-18.57,-12.35,;-16.56,-11.62,;-15.39,-12.62,;-15.58,-13.63,;-17.13,-13.06,;-17.76,-12.25,;-18.66,-13.26,;-19.4,-12.28,;-19.25,-14.68,;-20.47,-14.84,;-18.31,-15.9,;-16.79,-15.7,;-16.04,-16.68,;-16.19,-14.28,;-15.57,-15.1,;-14.67,-14.09,;-14.07,-12.66,;-12.85,-12.5,;-15.03,-11.44,;-14.03,-11.65,;-13.67,-10.72,;-12.7,-11.93,;-11.49,-11.75,;-12.66,-9.55,;-12.15,-8.1,;-10.61,-8.35,;-9.84,-7.39,;-12.18,-6.56,;-12.78,-5.14,;-11.75,-4.47,;-14.25,-0,;-13.35,1.25,;-13.78,2.19,;-10.06,3.58,;-9.64,2.64,;-9.16,4.84,;-7.63,4.69,;-6.92,5.7,)|
Show InChI InChI=1S/C61H94O18/c1-14-38-21-37(27-62)19-30(5)51(76-45-24-43(66)52(35(10)74-45)78-58-50(68)54(72-13)53(36(11)75-58)77-44-23-42(65)49(67)34(9)73-44)28(3)17-16-18-59(12)25-31(6)32(7)26-61(59)56(70)46(57(71)79-61)55(69)60(15-2)47(38)29(4)20-39-41(64)22-40(63)33(8)48(39)60/h20-21,25,28,30,32-37,39,41-45,47-54,58,62,64-68,70H,14-19,22-24,26-27H2,1-13H3/b38-21-/t28-,30-,32-,33+,34-,35-,36+,37-,39-,41+,42+,43+,44+,45+,47+,48-,49-,50-,51-,52-,53+,54+,58+,59-,60-,61-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 2-deoxyglucose-induced GRP78 (unknown origin) expression transfected in human HT1080 cells by luciferase reporter gene assay


J Nat Prod 78: 562-75 (2015)


Article DOI: 10.1021/np500757w
BindingDB Entry DOI: 10.7270/Q2HQ41NZ
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077018
PNG
(CHEMBL3416726)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
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n/an/a 438n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076971
PNG
(CHEMBL3416696)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCCNC(N)=N)c1 |r|
Show InChI InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-16(24)18(12-14)29-21(33)17(25)3-2-10-28-23(26)27/h4-9,12,17,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t17-,19-/m0/s1
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n/an/a 518n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076972
PNG
(CHEMBL3416697)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 589n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076972
PNG
(CHEMBL3416697)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 655n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077018
PNG
(CHEMBL3416726)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
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n/an/a 709n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077017
PNG
(CHEMBL3416725)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC |r|
Show InChI InChI=1S/C23H30N4O5/c1-3-4-5-17(24)22(30)26-19-11-8-15(13-18(19)25)21(29)27-20(23(31)32-2)12-14-6-9-16(28)10-7-14/h6-11,13,17,20,28H,3-5,12,24-25H2,1-2H3,(H,26,30)(H,27,29)/t17-,20-/m0/s1
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n/an/a 755n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50076984
PNG
(CHEMBL3416720)
Show SMILES N[C@@H](CCc1ccc(O)cc1)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 800n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077028
PNG
(CHEMBL3416692)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-25(33)30(38)35-27-16-21(14-15-24(27)32)29(37)36-28(31(39)40-19-20-9-5-4-6-10-20)17-22-18-34-26-13-8-7-11-23(22)26/h4-11,13-16,18,25,28,34H,2-3,12,17,19,32-33H2,1H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077024
PNG
(CHEMBL3416687)
Show SMILES N[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H41N5O5/c43-35-22-18-31(23-38(35)46-41(49)36(44)21-17-28-15-19-33(20-16-28)51-26-29-9-3-1-4-10-29)40(48)47-39(42(50)52-27-30-11-5-2-6-12-30)24-32-25-45-37-14-8-7-13-34(32)37/h1-16,18-20,22-23,25,36,39,45H,17,21,24,26-27,43-44H2,(H,46,49)(H,47,48)/t36-,39-/m0/s1
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n/an/a 933n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076971
PNG
(CHEMBL3416696)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCCNC(N)=N)c1 |r|
Show InChI InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-16(24)18(12-14)29-21(33)17(25)3-2-10-28-23(26)27/h4-9,12,17,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t17-,19-/m0/s1
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n/an/a 966n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077021
PNG
(CHEMBL3416730)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H30N8O4/c25-16(5-3-9-29-24(27)28)22(34)31-19-8-7-13(10-17(19)26)21(33)32-20(23(35)36)11-14-12-30-18-6-2-1-4-15(14)18/h1-2,4,6-8,10,12,16,20,30H,3,5,9,11,25-26H2,(H,31,34)(H,32,33)(H,35,36)(H4,27,28,29)/t16-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077103
PNG
(CHEMBL3416701)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)OC |r|
Show InChI InChI=1S/C14H21N3O3/c1-3-4-5-10(15)13(18)17-12-7-6-9(8-11(12)16)14(19)20-2/h6-8,10H,3-5,15-16H2,1-2H3,(H,17,18)/t10-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50076981
PNG
(CHEMBL3416716)
Show SMILES N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077133
PNG
(CHEMBL3416732)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9Cl2N5O2S/c14-11-5-4-10(7-12(11)15)23(21,22)18-9-3-1-2-8(6-9)13-16-19-20-17-13/h1-7,18H,(H,16,17,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of IRAP (unknown origin) expressed in CHO cells using L--leucine-p-nitroanilide as substrate after 6 to 12 hrs


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50076972
PNG
(CHEMBL3416697)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077027
PNG
(CHEMBL3416691)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC |r|
Show InChI InChI=1S/C23H30N4O5/c1-3-4-5-18(25)22(30)26-19-13-15(8-11-17(19)24)21(29)27-20(23(31)32-2)12-14-6-9-16(28)10-7-14/h6-11,13,18,20,28H,3-5,12,24-25H2,1-2H3,(H,26,30)(H,27,29)/t18-,20-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076977
PNG
(CHEMBL3416711)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H](N)CCc2ccccc2)c(N)c1 |r|
Show InChI InChI=1S/C27H30N4O5/c1-36-27(35)24(15-18-7-11-20(32)12-8-18)31-25(33)19-10-14-23(22(29)16-19)30-26(34)21(28)13-9-17-5-3-2-4-6-17/h2-8,10-12,14,16,21,24,32H,9,13,15,28-29H2,1H3,(H,30,34)(H,31,33)/t21-,24-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076982
PNG
(CHEMBL3416717)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50439350
PNG
(CHEMBL2420385)
Show SMILES N[C@@H](CCc1ccccc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H35N5O4/c36-28-18-16-25(19-31(28)39-34(42)29(37)17-15-23-9-3-1-4-10-23)33(41)40-32(35(43)44-22-24-11-5-2-6-12-24)20-26-21-38-30-14-8-7-13-27(26)30/h1-14,16,18-19,21,29,32,38H,15,17,20,22,36-37H2,(H,39,42)(H,40,41)/t29-,32-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HeLa cells assessed as L-Leucine-7-amido-4-methyl coumarin hydrolysis to 7-amido-4-methyl coumarin ...


Bioorg Med Chem Lett 23: 4832-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.024
BindingDB Entry DOI: 10.7270/Q2J38V00
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077026
PNG
(CHEMBL3416689)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O4/c1-4-5-11-20(27)24(31)28-21-14-18(12-13-19(21)26)23(30)29-22(16(2)3)25(32)33-15-17-9-7-6-8-10-17/h6-10,12-14,16,20,22H,4-5,11,15,26-27H2,1-3H3,(H,28,31)(H,29,30)/t20-,22-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077020
PNG
(CHEMBL3416729)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H](N)CCCNC(N)=N)c(N)c1 |r|
Show InChI InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-18(17(25)12-14)29-21(33)16(24)3-2-10-28-23(26)27/h4-9,12,16,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t16-,19-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077028
PNG
(CHEMBL3416692)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-25(33)30(38)35-27-16-21(14-15-24(27)32)29(37)36-28(31(39)40-19-20-9-5-4-6-10-20)17-22-18-34-26-13-8-7-11-23(22)26/h4-11,13-16,18,25,28,34H,2-3,12,17,19,32-33H2,1H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077123
PNG
(CHEMBL3416698)
Show SMILES COC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)c(N)c1 |r|
Show InChI InChI=1S/C24H25N3O4/c1-30-24(29)18-9-12-22(20(25)14-18)27-23(28)21(26)13-16-7-10-19(11-8-16)31-15-17-5-3-2-4-6-17/h2-12,14,21H,13,15,25-26H2,1H3,(H,27,28)/t21-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077019
PNG
(CHEMBL3416727)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H29N5O4/c1-2-3-7-17(25)23(31)28-20-10-9-14(11-18(20)26)22(30)29-21(24(32)33)12-15-13-27-19-8-5-4-6-16(15)19/h4-6,8-11,13,17,21,27H,2-3,7,12,25-26H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076975
PNG
(CHEMBL3416706)
Show SMILES Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50439354
PNG
(CHEMBL2420381)
Show SMILES COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1 |r|
Show InChI InChI=1S/C24H33N5O4/c1-33-24(32)20(9-5-6-14-25)28-22(30)17-11-13-18(26)21(15-17)29-23(31)19(27)12-10-16-7-3-2-4-8-16/h2-4,7-8,11,13,15,19-20H,5-6,9-10,12,14,25-27H2,1H3,(H,28,30)(H,29,31)/t19-,20-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus-infected Hi5 insect cells assessed as L-Leucine-7-amido-4-methyl coumarin h...


Bioorg Med Chem Lett 23: 4832-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.024
BindingDB Entry DOI: 10.7270/Q2J38V00
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076958
PNG
(CHEMBL3416583)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C19H31N5O4/c1-11(2)9-14(22)18(26)24-16-10-12(6-7-13(16)21)17(25)23-15(19(27)28)5-3-4-8-20/h6-7,10-11,14-15H,3-5,8-9,20-22H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/t14-,15-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077130
PNG
(CHEMBL3416568)
Show SMILES COC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccc(OCc3ccccc3)cc2)c1 |r|
Show InChI InChI=1S/C25H27N3O4/c1-31-25(30)19-10-14-21(26)23(15-19)28-24(29)22(27)13-9-17-7-11-20(12-8-17)32-16-18-5-3-2-4-6-18/h2-8,10-12,14-15,22H,9,13,16,26-27H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077020
PNG
(CHEMBL3416729)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H](N)CCCNC(N)=N)c(N)c1 |r|
Show InChI InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-18(17(25)12-14)29-21(33)16(24)3-2-10-28-23(26)27/h4-9,12,16,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t16-,19-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076978
PNG
(CHEMBL3416712)
Show SMILES N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
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n/an/a 2.40E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50076976
PNG
(CHEMBL3416707)
Show SMILES COC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(N)c(N)c1 |r|
Show InChI InChI=1S/C14H22N6O3/c1-23-13(22)11(3-2-6-19-14(17)18)20-12(21)8-4-5-9(15)10(16)7-8/h4-5,7,11H,2-3,6,15-16H2,1H3,(H,20,21)(H4,17,18,19)/t11-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077018
PNG
(CHEMBL3416726)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r|
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076970
PNG
(CHEMBL3416694)
Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)OC |r|
Show InChI InChI=1S/C20H33N7O4/c1-3-4-6-14(22)18(29)27-16-11-12(8-9-13(16)21)17(28)26-15(19(30)31-2)7-5-10-25-20(23)24/h8-9,11,14-15H,3-7,10,21-22H2,1-2H3,(H,26,28)(H,27,29)(H4,23,24,25)/t14-,15-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077106
PNG
(CHEMBL3416702)
Show SMILES COC(=O)c1ccc(NC(=O)[C@@H](N)CCCNC(N)=N)c(N)c1 |r|
Show InChI InChI=1S/C14H22N6O3/c1-23-13(22)8-4-5-11(10(16)7-8)20-12(21)9(15)3-2-6-19-14(17)18/h4-5,7,9H,2-3,6,15-16H2,1H3,(H,20,21)(H4,17,18,19)/t9-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077020
PNG
(CHEMBL3416729)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H](N)CCCNC(N)=N)c(N)c1 |r|
Show InChI InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-18(17(25)12-14)29-21(33)16(24)3-2-10-28-23(26)27/h4-9,12,16,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t16-,19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50439353
PNG
(CHEMBL2420382)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C23H31N5O4/c24-13-5-4-8-19(23(31)32)27-21(29)16-10-12-17(25)20(14-16)28-22(30)18(26)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,18-19H,4-5,8-9,11,13,24-26H2,(H,27,29)(H,28,30)(H,31,32)/t18-,19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus-infected Hi5 insect cells assessed as L-Leucine-7-amido-4-methyl coumarin h...


Bioorg Med Chem Lett 23: 4832-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.024
BindingDB Entry DOI: 10.7270/Q2J38V00
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076817
PNG
(CHEMBL3416577)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C22H29N5O4/c23-11-5-4-8-18(22(30)31)26-20(28)15-9-10-16(24)19(13-15)27-21(29)17(25)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,13,17-18H,4-5,8,11-12,23-25H2,(H,26,28)(H,27,29)(H,30,31)/t17-,18-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50439351
PNG
(CHEMBL2420384)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1 |r|
Show InChI InChI=1S/C27H30N4O5/c1-36-27(35)24(15-18-7-11-20(32)12-8-18)31-25(33)19-10-14-21(28)23(16-19)30-26(34)22(29)13-9-17-5-3-2-4-6-17/h2-8,10-12,14,16,22,24,32H,9,13,15,28-29H2,1H3,(H,30,34)(H,31,33)/t22-,24-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HeLa cells assessed as L-Leucine-7-amido-4-methyl coumarin hydrolysis to 7-amido-4-methyl coumarin ...


Bioorg Med Chem Lett 23: 4832-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.024
BindingDB Entry DOI: 10.7270/Q2J38V00
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077019
PNG
(CHEMBL3416727)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H29N5O4/c1-2-3-7-17(25)23(31)28-20-10-9-14(11-18(20)26)22(30)29-21(24(32)33)12-15-13-27-19-8-5-4-6-16(15)19/h4-6,8-11,13,17,21,27H,2-3,7,12,25-26H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077120
PNG
(CHEMBL3416714)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)c(N)c1 |r|
Show InChI InChI=1S/C33H34N4O6/c1-42-33(41)30(18-22-7-12-25(38)13-8-22)37-31(39)24-11-16-29(27(34)19-24)36-32(40)28(35)17-21-9-14-26(15-10-21)43-20-23-5-3-2-4-6-23/h2-16,19,28,30,38H,17-18,20,34-35H2,1H3,(H,36,40)(H,37,39)/t28-,30-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50076796
PNG
(CHEMBL3416567)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cc(ccc1N)C(O)=O |r|
Show InChI InChI=1S/C16H17N3O4/c17-12-6-3-10(16(22)23)8-14(12)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,17-18H2,(H,19,21)(H,22,23)/t13-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
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