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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'stern' and Initial = 'lj'   
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
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519953
PNG
(CHEMBL2140832)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)
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3.80E+3n/an/an/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using varying le...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519944
PNG
(CHEMBL4456470)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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1.28E+4n/an/an/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using varying le...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519948
PNG
(CHEMBL1700161)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)NC(=N)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C17H16F2N4O2S/c18-12-5-6-14(19)16(9-12)26(24,25)23-17(20)21-8-7-11-10-22-15-4-2-1-3-13(11)15/h1-6,9-10,22H,7-8H2,(H3,20,21,23)
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5.17E+4n/an/an/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using varying le...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326697
PNG
((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-18-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CN1C(=O)c2ccc(cc2C1=O)N(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C82H131N21O22/c1-41(2)35-57(72(114)89-44(7)67(109)100-66(46(9)105)82(124)125)94-69(111)53(19-12-15-31-83)90-73(115)58(36-42(3)4)97-78(120)65(45(8)104)99-75(117)60(39-63(88)108)96-71(113)56(29-30-62(87)107)91-68(110)55(21-14-17-33-85)93-77(119)64(43(5)6)98-74(116)59(37-47-23-26-49(106)27-24-47)95-70(112)54(20-13-16-32-84)92-76(118)61-22-18-34-102(61)81(123)52(86)40-103-79(121)50-28-25-48(101(10)11)38-51(50)80(103)122/h23-28,38,41-46,52-61,64-66,104-106H,12-22,29-37,39-40,83-86H2,1-11H3,(H2,87,107)(H2,88,108)(H,89,114)(H,90,115)(H,91,110)(H,92,118)(H,93,119)(H,94,111)(H,95,112)(H,96,113)(H,97,120)(H,98,116)(H,99,117)(H,100,109)(H,124,125)/t44-,45+,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,66-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326699
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(d...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C45H72N14O13S/c1-21(2)17-32(44(71)72)56-37(64)25(6)52-35(62)23(4)50-34(61)22(3)51-36(63)24(5)53-39(66)31(14-16-73-9)55-41(68)33(20-60)57-40(67)30(11-10-15-49-45(47)48)54-38(65)29(46)19-59-42(69)27-13-12-26(58(7)8)18-28(27)43(59)70/h12-13,18,21-25,29-33,60H,10-11,14-17,19-20,46H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,65)(H,55,68)(H,56,64)(H,57,67)(H,71,72)(H4,47,48,49)/t22-,23-,24-,25-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50287632
PNG
(CHEMBL1253325 | PKYVKQNTLKLAT (HA306-318 peptide))
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C69H118N18O19/c1-35(2)31-48(63(99)76-38(7)57(93)87-56(40(9)89)69(105)106)81-60(96)45(18-11-14-28-71)78-64(100)49(32-36(3)4)84-68(104)55(39(8)88)86-66(102)51(34-53(74)92)83-62(98)47(25-26-52(73)91)79-59(95)46(19-12-15-29-72)80-67(103)54(37(5)6)85-65(101)50(33-41-21-23-42(90)24-22-41)82-61(97)44(17-10-13-27-70)77-58(94)43-20-16-30-75-43/h21-24,35-40,43-51,54-56,75,88-90H,10-20,25-34,70-72H2,1-9H3,(H2,73,91)(H2,74,92)(H,76,99)(H,77,94)(H,78,100)(H,79,95)(H,80,103)(H,81,96)(H,82,97)(H,83,98)(H,84,104)(H,85,101)(H,86,102)(H,87,93)(H,105,106)/t38-,39+,40+,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326699
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(d...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C45H72N14O13S/c1-21(2)17-32(44(71)72)56-37(64)25(6)52-35(62)23(4)50-34(61)22(3)51-36(63)24(5)53-39(66)31(14-16-73-9)55-41(68)33(20-60)57-40(67)30(11-10-15-49-45(47)48)54-38(65)29(46)19-59-42(69)27-13-12-26(58(7)8)18-28(27)43(59)70/h12-13,18,21-25,29-33,60H,10-11,14-17,19-20,46H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,65)(H,55,68)(H,56,64)(H,57,67)(H,71,72)(H4,47,48,49)/t22-,23-,24-,25-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
Interleukin-1 receptor antagonist protein


(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 |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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n/an/a 5n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Leu-AMC as substrate incubated for 2 hrs by fluorescence based assay


ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326698
PNG
((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-a...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2cc3ccc(cc3cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C49H74N14O13S/c1-23(2)17-36(48(75)76)60-41(68)27(6)56-39(66)25(4)54-38(65)24(3)55-40(67)26(5)57-43(70)35(14-16-77-9)59-45(72)37(22-64)61-44(71)34(11-10-15-53-49(51)52)58-42(69)33(50)21-63-46(73)31-19-28-12-13-30(62(7)8)18-29(28)20-32(31)47(63)74/h12-13,18-20,23-27,33-37,64H,10-11,14-17,21-22,50H2,1-9H3,(H,54,65)(H,55,67)(H,56,66)(H,57,70)(H,58,69)(H,59,72)(H,60,68)(H,61,71)(H,75,76)(H4,51,52,53)/t24-,25-,26-,27-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326698
PNG
((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-a...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2cc3ccc(cc3cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C49H74N14O13S/c1-23(2)17-36(48(75)76)60-41(68)27(6)56-39(66)25(4)54-38(65)24(3)55-40(67)26(5)57-43(70)35(14-16-77-9)59-45(72)37(22-64)61-44(71)34(11-10-15-53-49(51)52)58-42(69)33(50)21-63-46(73)31-19-28-12-13-30(62(7)8)18-29(28)20-32(31)47(63)74/h12-13,18-20,23-27,33-37,64H,10-11,14-17,21-22,50H2,1-9H3,(H,54,65)(H,55,67)(H,56,66)(H,57,70)(H,58,69)(H,59,72)(H,60,68)(H,61,71)(H,75,76)(H4,51,52,53)/t24-,25-,26-,27-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 11.5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
Interleukin-1 receptor antagonist protein


(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 |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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n/an/a 16n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Arg-AMC as substrate incubated for 2 hrs by fluorescence based assay


ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326704
PNG
((4S,7S,10S,13S,16S,19S,22S,25S,28S)-4-acetamido-1-...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1cc2cc(ccc2cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C51H78N14O15S/c1-24(2)18-37(50(79)80)63-43(71)28(6)58-41(69)26(4)56-40(68)25(3)57-42(70)27(5)59-45(73)36(15-17-81-10)62-48(76)39(23-66)64-46(74)35(12-11-16-54-51(52)53)61-47(75)38(60-29(7)67)22-55-44(72)33-21-31-19-32(65(8)9)14-13-30(31)20-34(33)49(77)78/h13-14,19-21,24-28,35-39,66H,11-12,15-18,22-23H2,1-10H3,(H,55,72)(H,56,68)(H,57,70)(H,58,69)(H,59,73)(H,60,67)(H,61,75)(H,62,76)(H,63,71)(H,64,74)(H,77,78)(H,79,80)(H4,52,53,54)/t25-,26-,27-,28-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326703
PNG
((5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C48H78N14O15S/c1-23(2)18-34(47(76)77)60-41(69)27(6)55-39(67)25(4)53-38(66)24(3)54-40(68)26(5)56-42(70)33(15-17-78-10)59-45(73)36(22-63)61-43(71)32(12-11-16-51-48(49)50)58-44(72)35(57-28(7)64)21-52-37(65)19-29-13-14-30(62(8)9)20-31(29)46(74)75/h13-14,20,23-27,32-36,63H,11-12,15-19,21-22H2,1-10H3,(H,52,65)(H,53,66)(H,54,68)(H,55,67)(H,56,70)(H,57,64)(H,58,72)(H,59,73)(H,60,69)(H,61,71)(H,74,75)(H,76,77)(H4,49,50,51)/t24-,25-,26-,27-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
Interleukin-1 receptor antagonist protein


(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 |r|
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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n/an/a 251n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Leu-AMC as substrate incubated for 2 hrs by fluorescence based assay


ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326701
PNG
((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-...)
Show SMILES CN(C)c1ccc2C(=O)N(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc34)C(O)=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C28H25N3O6/c1-30(2)16-11-12-21-22(13-16)26(33)31(25(21)32)14-24(27(34)35)29-28(36)37-15-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-13,23-24H,14-15H2,1-2H3,(H,29,36)(H,34,35)/t24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519953
PNG
(CHEMBL2140832)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of ERAP1 in human HeLa cells stably expressing H-2 Kb infected with vaccinia virus containing ss-LEQLE-SIINFEKL epitope assessed as suppre...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(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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n/an/a 1.26E+3n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence based assay


ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519952
PNG
(CHEMBL4454059)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H22F3N3O5S/c1-25-7-9-26(10-8-25)16-5-4-14(20(21,22)23)12-15(16)24-32(29,30)18-11-13(19(27)28)3-6-17(18)31-2/h3-6,11-12,24H,7-10H2,1-2H3,(H,27,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519957
PNG
(CHEMBL4586487)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519957
PNG
(CHEMBL4586487)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519953
PNG
(CHEMBL2140832)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519944
PNG
(CHEMBL4456470)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519941
PNG
(CHEMBL4528154)
Show SMILES COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O5S/c1-30-18-9-6-14(20(27)31-2)12-19(18)32(28,29)25-16-13-15(21(22,23)24)7-8-17(16)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519944
PNG
(CHEMBL4456470)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519958
PNG
(CHEMBL4516434)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(C)ccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C20H24N2O5S/c1-14-6-8-17(22-10-4-3-5-11-22)16(12-14)21-28(25,26)19-13-15(20(23)24)7-9-18(19)27-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,23,24)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
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 |r|
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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n/an/a 7.94E+3n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence based assay


ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519950
PNG
(CHEMBL4578212)
Show SMILES OC(=O)c1ccc(Br)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H18BrF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519955
PNG
(CHEMBL4587278)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H21FN2O5S/c1-27-17-8-5-13(19(23)24)11-18(17)28(25,26)21-15-12-14(20)6-7-16(15)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519948
PNG
(CHEMBL1700161)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)NC(=N)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C17H16F2N4O2S/c18-12-5-6-14(19)16(9-12)26(24,25)23-17(20)21-8-7-11-10-22-15-4-2-1-3-13(11)15/h1-6,9-10,22H,7-8H2,(H3,20,21,23)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))
BDBM50326702
PNG
((2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(d...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C51H80N16O20/c1-24(69)39(65-43(79)31(14-15-36(70)71)58-40(76)28(54)22-67-48(84)26-13-12-25(66(2)3)19-27(26)49(67)85)47(83)63-34(21-38(74)75)45(81)59-29(9-4-6-16-52)41(77)62-33(20-37(72)73)44(80)60-30(10-5-7-17-53)42(78)64-35(23-68)46(82)61-32(50(86)87)11-8-18-57-51(55)56/h12-13,19,24,28-35,39,68-69H,4-11,14-18,20-23,52-54H2,1-3H3,(H,58,76)(H,59,81)(H,60,80)(H,61,82)(H,62,77)(H,63,83)(H,64,78)(H,65,79)(H,70,71)(H,72,73)(H,74,75)(H,86,87)(H4,55,56,57)/t24-,28+,29+,30+,31+,32+,33+,34+,35+,39+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519956
PNG
(CHEMBL4558482)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-9-14(19(22)23)13-18(17)27(24,25)20-15-7-3-4-8-16(15)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3,(H,22,23)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519949
PNG
(CHEMBL4458647)
Show SMILES OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H18ClF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519951
PNG
(CHEMBL4439709)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O4S/c20-19(21,22)14-7-8-17(24-9-2-1-3-10-24)16(12-14)23-29(27,28)15-6-4-5-13(11-15)18(25)26/h4-8,11-12,23H,1-3,9-10H2,(H,25,26)
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n/an/a 2.02E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519947
PNG
(CHEMBL4515471)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccccc1
Show InChI InChI=1S/C20H29N5O2/c1-16(26)24-12-14-25(15-13-24)18(27)20(10-6-3-7-11-20)23-19(21)22-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H3,21,22,23)
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n/an/a 2.06E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519945
PNG
(CHEMBL4442299)
Show SMILES COc1ccc(NC(=N)NC2(CCCCC2)C(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C21H31N5O3/c1-16(27)25-12-14-26(15-13-25)19(28)21(10-4-3-5-11-21)24-20(22)23-17-6-8-18(29-2)9-7-17/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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n/an/a 3.18E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519940
PNG
(CHEMBL4476531)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)c1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H23F3N2O5S/c1-25(32(29,30)19-12-14(20(27)28)6-9-18(19)31-2)17-13-15(21(22,23)24)7-8-16(17)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,27,28)
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n/an/a 3.26E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519944
PNG
(CHEMBL4456470)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of ERAP1 in human HeLa cells stably expressing H-2 Kb infected with vaccinia virus containing ss-LEQLE-SIINFEKL epitope assessed as suppre...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
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 |r|
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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n/an/a 7.94E+4n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of ERAP1 (unknown origin) using Leu-AMC as substrate by fluorescence based assay


ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50519956
PNG
(CHEMBL4558482)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-9-14(19(22)23)13-18(17)27(24,25)20-15-7-3-4-8-16(15)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3,(H,22,23)
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n/an/a 8.12E+4n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519945
PNG
(CHEMBL4442299)
Show SMILES COc1ccc(NC(=N)NC2(CCCCC2)C(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C21H31N5O3/c1-16(27)25-12-14-26(15-13-25)19(28)21(10-4-3-5-11-21)24-20(22)23-17-6-8-18(29-2)9-7-17/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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n/an/a 1.15E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519954
PNG
(CHEMBL4434818)
Show SMILES Cc1ccc(NC(=N)NC2(CCCCC2)C(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C25H33N5O/c1-20-10-12-21(13-11-20)27-24(26)28-25(14-6-3-7-15-25)23(31)30-18-16-29(17-19-30)22-8-4-2-5-9-22/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H3,26,27,28)
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n/an/a 1.24E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519959
PNG
(CHEMBL4438051)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C(C)(C)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C18H27N5O2/c1-13-5-7-15(8-6-13)20-17(19)21-18(3,4)16(25)23-11-9-22(10-12-23)14(2)24/h5-8H,9-12H2,1-4H3,(H3,19,20,21)
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n/an/a 1.26E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519947
PNG
(CHEMBL4515471)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccccc1
Show InChI InChI=1S/C20H29N5O2/c1-16(26)24-12-14-25(15-13-24)18(27)20(10-6-3-7-11-20)23-19(21)22-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H3,21,22,23)
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n/an/a 1.35E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50519951
PNG
(CHEMBL4439709)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O4S/c20-19(21,22)14-7-8-17(24-9-2-1-3-10-24)16(12-14)23-29(27,28)15-6-4-5-13(11-15)18(25)26/h4-8,11-12,23H,1-3,9-10H2,(H,25,26)
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n/an/a 1.40E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519959
PNG
(CHEMBL4438051)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C(C)(C)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C18H27N5O2/c1-13-5-7-15(8-6-13)20-17(19)21-18(3,4)16(25)23-11-9-22(10-12-23)14(2)24/h5-8H,9-12H2,1-4H3,(H3,19,20,21)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50519955
PNG
(CHEMBL4587278)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H21FN2O5S/c1-27-17-8-5-13(19(23)24)11-18(17)28(25,26)21-15-12-14(20)6-7-16(15)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)
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n/an/a 1.59E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50519940
PNG
(CHEMBL4476531)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)c1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H23F3N2O5S/c1-25(32(29,30)19-12-14(20(27)28)6-9-18(19)31-2)17-13-15(21(22,23)24)7-8-16(17)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,27,28)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Interleukin-1 receptor antagonist protein


(Mus musculus)
BDBM50519940
PNG
(CHEMBL4476531)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)c1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H23F3N2O5S/c1-25(32(29,30)19-12-14(20(27)28)6-9-18(19)31-2)17-13-15(21(22,23)24)7-8-16(17)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,27,28)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519946
PNG
(CHEMBL4444617)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H28FN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)
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n/an/a 1.65E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519942
PNG
(CHEMBL4437748)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CC1)NC(=N)Nc1ccc(C)cc1
Show InChI InChI=1S/C18H25N5O2/c1-13-3-5-15(6-4-13)20-17(19)21-18(7-8-18)16(25)23-11-9-22(10-12-23)14(2)24/h3-6H,7-12H2,1-2H3,(H3,19,20,21)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
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