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Compile Data Set for Download or QSAR

Found 152 hits Enz. Inhib. hit(s) with Target = 'HLA class I histocompatibility antigen A-3' 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
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409331
PNG
(CHEMBL402482)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C55H81N11O12/c1-9-32(8)44(57)53(75)62-38(24-29(2)3)48(70)60-40(26-34-27-58-36-19-14-13-18-35(34)36)50(72)59-37(21-22-43(56)68)47(69)64-45(30(4)5)54(76)66-23-15-20-42(66)52(74)61-39(25-33-16-11-10-12-17-33)49(71)63-41(28-67)51(73)65-46(31(6)7)55(77)78/h10-14,16-19,27,29-32,37-42,44-46,58,67H,9,15,20-26,28,57H2,1-8H3,(H2,56,68)(H,59,72)(H,60,70)(H,61,74)(H,62,75)(H,63,71)(H,64,69)(H,65,73)(H,77,78)/t32-,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409462
PNG
(CHEMBL412034)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C53H80N10O12/c1-9-32(8)42(55)51(72)59-36(25-29(2)3)46(67)57-37(26-33-17-12-10-13-18-33)47(68)56-35(22-23-41(54)65)45(66)61-43(30(4)5)52(73)63-24-16-21-40(63)50(71)58-38(27-34-19-14-11-15-20-34)48(69)60-39(28-64)49(70)62-44(31(6)7)53(74)75/h10-15,17-20,29-32,35-40,42-44,64H,9,16,21-28,55H2,1-8H3,(H2,54,65)(H,56,68)(H,57,67)(H,58,71)(H,59,72)(H,60,69)(H,61,66)(H,62,70)(H,74,75)/t32-,35-,36-,37-,38-,39-,40-,42-,43-,44-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409427
PNG
(CHEMBL410648)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C51H74N10O14/c1-27(2)22-34(55-43(66)32(52)23-30-14-9-7-10-15-30)45(68)56-36(25-40(64)65)47(70)54-33(19-20-39(53)63)44(67)59-41(28(3)4)50(73)61-21-13-18-38(61)49(72)57-35(24-31-16-11-8-12-17-31)46(69)58-37(26-62)48(71)60-42(29(5)6)51(74)75/h7-12,14-17,27-29,32-38,41-42,62H,13,18-26,52H2,1-6H3,(H2,53,63)(H,54,70)(H,55,66)(H,56,68)(H,57,72)(H,58,69)(H,59,67)(H,60,71)(H,64,65)(H,74,75)/t32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1
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Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409315
PNG
(CHEMBL415611)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C51H74N10O15/c1-26(2)21-34(55-43(67)32(52)22-30-14-16-31(63)17-15-30)45(69)56-36(24-40(65)66)47(71)54-33(18-19-39(53)64)44(68)59-41(27(3)4)50(74)61-20-10-13-38(61)49(73)57-35(23-29-11-8-7-9-12-29)46(70)58-37(25-62)48(72)60-42(28(5)6)51(75)76/h7-9,11-12,14-17,26-28,32-38,41-42,62-63H,10,13,18-25,52H2,1-6H3,(H2,53,64)(H,54,71)(H,55,67)(H,56,69)(H,57,73)(H,58,70)(H,59,68)(H,60,72)(H,65,66)(H,75,76)/t32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409439
PNG
(CHEMBL386299)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C50H70N10O12/c1-26(2)21-36(55-43(64)34(51)22-30-15-17-32(62)18-16-30)44(65)56-37(23-31-24-52-35-12-8-7-11-33(31)35)49(70)60-20-10-13-38(60)45(66)53-25-40(63)59-19-9-14-39(59)46(67)57-41(27(3)4)47(68)58-42(29(6)61)48(69)54-28(5)50(71)72/h7-8,11-12,15-18,24,26-29,34,36-39,41-42,52,61-62H,9-10,13-14,19-23,25,51H2,1-6H3,(H,53,66)(H,54,69)(H,55,64)(H,56,65)(H,57,67)(H,58,68)(H,71,72)/t28-,29+,34-,36-,37-,38-,39-,41-,42-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409414
PNG
(CHEMBL386178)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C48H69N9O12/c1-26(2)22-34(52-41(61)33(49)23-31-16-18-32(59)19-17-31)42(62)53-35(24-30-12-8-7-9-13-30)47(67)57-21-11-14-36(57)43(63)50-25-38(60)56-20-10-15-37(56)44(64)54-39(27(3)4)45(65)55-40(29(6)58)46(66)51-28(5)48(68)69/h7-9,12-13,16-19,26-29,33-37,39-40,58-59H,10-11,14-15,20-25,49H2,1-6H3,(H,50,63)(H,51,66)(H,52,61)(H,53,62)(H,54,64)(H,55,65)(H,68,69)/t28-,29+,33-,34-,35-,36-,37-,39-,40-/m0/s1
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Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409443
PNG
(CHEMBL426344)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C48H76N10O14/c1-9-27(8)37(50)46(69)54-30(20-24(2)3)41(64)52-32(22-36(61)62)43(66)51-29(17-18-35(49)60)40(63)56-38(25(4)5)47(70)58-19-13-16-34(58)45(68)53-31(21-28-14-11-10-12-15-28)42(65)55-33(23-59)44(67)57-39(26(6)7)48(71)72/h10-12,14-15,24-27,29-34,37-39,59H,9,13,16-23,50H2,1-8H3,(H2,49,60)(H,51,66)(H,52,64)(H,53,68)(H,54,69)(H,55,65)(H,56,63)(H,57,67)(H,61,62)(H,71,72)/t27-,29-,30-,31-,32-,33-,34-,37-,38-,39-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409402
PNG
(CHEMBL402481)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H74N10O11S/c1-30(2)42(58-45(65)35(22-26-74-5)55-44(64)34(53)29-41(54)63)51(71)61-24-13-19-38(61)47(67)56-36(27-32-15-8-6-9-16-32)46(66)57-37(28-33-17-10-7-11-18-33)49(69)62-25-14-21-40(62)50(70)60-23-12-20-39(60)48(68)59-43(31(3)4)52(72)73/h6-11,15-18,30-31,34-40,42-43H,12-14,19-29,53H2,1-5H3,(H2,54,63)(H,55,64)(H,56,67)(H,57,66)(H,58,65)(H,59,68)(H,72,73)/t34-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409342
PNG
(CHEMBL122183)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C44H69N9O12S/c1-23(2)20-31(49-37(57)29(45)21-27-12-14-28(55)15-13-27)38(58)48-30(16-19-66-7)43(63)53-18-9-10-32(53)39(59)46-22-34(56)52-17-8-11-33(52)40(60)50-35(24(3)4)41(61)51-36(26(6)54)42(62)47-25(5)44(64)65/h12-15,23-26,29-33,35-36,54-55H,8-11,16-22,45H2,1-7H3,(H,46,59)(H,47,62)(H,48,58)(H,49,57)(H,50,60)(H,51,61)(H,64,65)/t25-,26+,29-,30-,31-,32-,33-,35-,36-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409361
PNG
(CHEMBL110989)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C42H77N9O11/c1-14-24(11)33(47-29(53)18-43)39(58)46-28(17-21(5)6)37(56)51-35(26(13)52)41(60)49-31(22(7)8)38(57)50-34(25(12)15-2)40(59)45-27(16-20(3)4)36(55)44-19-30(54)48-32(23(9)10)42(61)62/h20-28,31-35,52H,14-19,43H2,1-13H3,(H,44,55)(H,45,59)(H,46,58)(H,47,53)(H,48,54)(H,49,60)(H,50,57)(H,51,56)(H,61,62)/t24-,25-,26+,27-,28-,31-,32-,33-,34-,35-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409360
PNG
(CHEMBL440266)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C53H80N10O13/c1-9-31(8)42(55)51(73)59-36(24-28(2)3)46(68)57-37(26-33-17-19-34(65)20-18-33)47(69)56-35(21-22-41(54)66)45(67)61-43(29(4)5)52(74)63-23-13-16-40(63)50(72)58-38(25-32-14-11-10-12-15-32)48(70)60-39(27-64)49(71)62-44(30(6)7)53(75)76/h10-12,14-15,17-20,28-31,35-40,42-44,64-65H,9,13,16,21-27,55H2,1-8H3,(H2,54,66)(H,56,69)(H,57,68)(H,58,72)(H,59,73)(H,60,70)(H,61,67)(H,62,71)(H,75,76)/t31-,35-,36-,37-,38-,39-,40-,42-,43-,44-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409321
PNG
(CHEMBL428098)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C50H73N9O12/c1-27(2)23-35(53-43(63)34(51)24-32-17-19-33(61)20-18-32)44(64)54-36(25-31-13-9-8-10-14-31)49(69)59-22-12-15-37(59)45(65)52-26-39(62)58-21-11-16-38(58)46(66)55-40(28(3)4)47(67)57-42(30(7)60)48(68)56-41(29(5)6)50(70)71/h8-10,13-14,17-20,27-30,34-38,40-42,60-61H,11-12,15-16,21-26,51H2,1-7H3,(H,52,65)(H,53,63)(H,54,64)(H,55,66)(H,56,68)(H,57,67)(H,70,71)/t30-,34+,35+,36+,37+,38+,40+,41+,42+/m1/s1
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n/an/a 5.79n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409357
PNG
(CHEMBL325914)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C43H65N11O12/c1-22(2)15-29(52-39(61)30(16-23(3)4)49-35(57)18-44)37(59)47-20-36(58)50-31(17-25-19-46-27-10-7-6-9-26(25)27)40(62)53-32(21-55)42(64)54-14-8-11-33(54)41(63)51-28(12-13-34(45)56)38(60)48-24(5)43(65)66/h6-7,9-10,19,22-24,28-33,46,55H,8,11-18,20-21,44H2,1-5H3,(H2,45,56)(H,47,59)(H,48,60)(H,49,57)(H,50,58)(H,51,63)(H,52,61)(H,53,62)(H,65,66)/t24-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 5.79n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409447
PNG
(CHEMBL407614)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C53H92N12O12/c1-13-30(9)40(49(73)61-39(25-29(7)8)48(72)65-43(33(12)67)51(75)63-41(52(76)77)31(10)14-2)62-45(69)36(21-18-22-57-53(55)56)58-50(74)42(32(11)66)64-47(71)38(24-28(5)6)60-46(70)37(23-27(3)4)59-44(68)35(54)26-34-19-16-15-17-20-34/h15-17,19-20,27-33,35-43,66-67H,13-14,18,21-26,54H2,1-12H3,(H,58,74)(H,59,68)(H,60,70)(H,61,73)(H,62,69)(H,63,75)(H,64,71)(H,65,72)(H,76,77)(H4,55,56,57)/t30-,31-,32+,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409415
PNG
(CHEMBL405270)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H74N10O12/c1-27(2)22-37(56-45(66)35(53)23-31-16-18-33(64)19-17-31)46(67)57-38(24-32-25-54-36-13-9-8-12-34(32)36)51(72)62-21-11-14-39(62)47(68)55-26-41(65)61-20-10-15-40(61)48(69)58-42(28(3)4)49(70)60-44(30(7)63)50(71)59-43(29(5)6)52(73)74/h8-9,12-13,16-19,25,27-30,35,37-40,42-44,54,63-64H,10-11,14-15,20-24,26,53H2,1-7H3,(H,55,68)(H,56,66)(H,57,67)(H,58,69)(H,59,71)(H,60,70)(H,73,74)/t30-,35+,37+,38+,39+,40+,42+,43+,44+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409393
PNG
(CHEMBL437514)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C49H80N10O12S/c1-10-29(8)38(51)47(68)55-33(23-26(2)3)43(64)53-32(20-22-72-9)41(62)52-31(18-19-37(50)61)42(63)57-39(27(4)5)48(69)59-21-14-17-36(59)46(67)54-34(24-30-15-12-11-13-16-30)44(65)56-35(25-60)45(66)58-40(28(6)7)49(70)71/h11-13,15-16,26-29,31-36,38-40,60H,10,14,17-25,51H2,1-9H3,(H2,50,61)(H,52,62)(H,53,64)(H,54,67)(H,55,68)(H,56,65)(H,57,63)(H,58,66)(H,70,71)/t29-,31-,32-,33-,34-,35-,36-,38-,39-,40-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409431
PNG
(CHEMBL263228)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C42H77N9O11S/c1-13-25(10)34(40(59)51-33(24(8)9)42(61)62)49-31(53)19-45-38(57)29(17-22(4)5)48-41(60)35(26(11)52)50-32(54)20-44-37(56)28(14-15-63-12)46-39(58)30(18-23(6)7)47-36(55)27(43)16-21(2)3/h21-30,33-35,52H,13-20,43H2,1-12H3,(H,44,56)(H,45,57)(H,46,58)(H,47,55)(H,48,60)(H,49,53)(H,50,54)(H,51,59)(H,61,62)/t25-,26+,27-,28-,29-,30-,33-,34-,35-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409379
PNG
(CHEMBL430065)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C50H81N11O11/c1-11-31(10)42(49(70)58-38(22-33-23-52-26-54-33)47(68)59-39(50(71)72)20-30(8)9)61-41(63)24-53-44(65)35(17-27(2)3)56-48(69)40(25-62)60-46(67)37(19-29(6)7)57-45(66)36(18-28(4)5)55-43(64)34(51)21-32-15-13-12-14-16-32/h12-16,23,26-31,34-40,42,62H,11,17-22,24-25,51H2,1-10H3,(H,52,54)(H,53,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,68)(H,60,67)(H,61,63)(H,71,72)/t31-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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n/an/a 8.85n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409382
PNG
(CHEMBL407429)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C50H73N9O13/c1-26(2)22-35(53-43(64)34(51)23-30-12-16-32(61)17-13-30)44(65)54-36(24-31-14-18-33(62)19-15-31)49(70)59-21-9-10-37(59)45(66)52-25-39(63)58-20-8-11-38(58)46(67)55-40(27(3)4)47(68)57-42(29(7)60)48(69)56-41(28(5)6)50(71)72/h12-19,26-29,34-38,40-42,60-62H,8-11,20-25,51H2,1-7H3,(H,52,66)(H,53,64)(H,54,65)(H,55,67)(H,56,69)(H,57,68)(H,71,72)/t29-,34+,35+,36+,37+,38+,40+,41+,42+/m1/s1
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n/an/a 8.89n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409356
PNG
(CHEMBL216627)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C56H84N10O11/c1-30(2)23-40(59-48(68)38(57)27-36-28-58-39-20-15-14-19-37(36)39)50(70)63-44(29-67)53(73)61-41(24-31(3)4)49(69)60-42(25-32(5)6)51(71)64-46(33(7)8)55(75)66-22-16-21-45(66)54(74)62-43(26-35-17-12-11-13-18-35)52(72)65-47(34(9)10)56(76)77/h11-15,17-20,28,30-34,38,40-47,58,67H,16,21-27,29,57H2,1-10H3,(H,59,68)(H,60,69)(H,61,73)(H,62,74)(H,63,70)(H,64,71)(H,65,72)(H,76,77)/t38-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 8.95n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409403
PNG
(CHEMBL120035)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N9O12/c1-21(2)18-29(47-35(55)28(43)19-26-12-14-27(53)15-13-26)36(56)45-23(5)41(61)51-17-9-10-30(51)37(57)44-20-32(54)50-16-8-11-31(50)38(58)48-33(22(3)4)39(59)49-34(25(7)52)40(60)46-24(6)42(62)63/h12-15,21-25,28-31,33-34,52-53H,8-11,16-20,43H2,1-7H3,(H,44,57)(H,45,56)(H,46,60)(H,47,55)(H,48,58)(H,49,59)(H,62,63)/t23-,24-,25+,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/a 9.29n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409343
PNG
(ALMPLYACI)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(O)=O
Show InChI InChI=1S/C46H75N9O11S2/c1-10-26(6)37(46(65)66)54-43(62)35(23-67)53-39(58)28(8)48-40(59)34(22-29-13-15-30(56)16-14-29)51-42(61)33(21-25(4)5)52-44(63)36-12-11-18-55(36)45(64)31(17-19-68-9)49-41(60)32(20-24(2)3)50-38(57)27(7)47/h13-16,24-28,31-37,56,67H,10-12,17-23,47H2,1-9H3,(H,48,59)(H,49,60)(H,50,57)(H,51,61)(H,52,63)(H,53,58)(H,54,62)(H,65,66)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409349
PNG
(CHEMBL385441)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C58H78N14O14/c1-30(2)49(58(85)86)71-54(81)42(20-22-47(62)76)67-56(83)45(26-34-28-64-40-14-7-5-11-37(34)40)69-55(82)43(24-32-15-17-35(74)18-16-32)68-53(80)41(19-21-46(61)75)66-48(77)29-65-52(79)44(25-33-27-63-39-13-6-4-10-36(33)39)70-57(84)50(31(3)73)72-51(78)38(60)12-8-9-23-59/h4-7,10-11,13-18,27-28,30-31,38,41-45,49-50,63-64,73-74H,8-9,12,19-26,29,59-60H2,1-3H3,(H2,61,75)(H2,62,76)(H,65,79)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,84)(H,71,81)(H,72,78)(H,85,86)/t31-,38+,41+,42+,43+,44+,45+,49+,50+/m1/s1
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n/an/a 11.1n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409345
PNG
(CHEMBL263173)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C53H75N11O14/c1-27(2)21-36(58-45(69)33(54)23-31-25-56-34-16-11-10-15-32(31)34)47(71)59-38(24-42(67)68)49(73)57-35(18-19-41(55)66)46(70)62-43(28(3)4)52(76)64-20-12-17-40(64)51(75)60-37(22-30-13-8-7-9-14-30)48(72)61-39(26-65)50(74)63-44(29(5)6)53(77)78/h7-11,13-16,25,27-29,33,35-40,43-44,56,65H,12,17-24,26,54H2,1-6H3,(H2,55,66)(H,57,73)(H,58,69)(H,59,71)(H,60,75)(H,61,72)(H,62,70)(H,63,74)(H,67,68)(H,77,78)/t33-,35-,36-,37-,38-,39-,40-,43-,44-/m0/s1
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n/an/a 11.5n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409377
PNG
(CHEMBL263685)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C47H76N10O12/c1-10-27(8)36(49)45(66)53-31(21-24(2)3)41(62)50-28(9)39(60)51-30(18-19-35(48)59)40(61)55-37(25(4)5)46(67)57-20-14-17-34(57)44(65)52-32(22-29-15-12-11-13-16-29)42(63)54-33(23-58)43(64)56-38(26(6)7)47(68)69/h11-13,15-16,24-28,30-34,36-38,58H,10,14,17-23,49H2,1-9H3,(H2,48,59)(H,50,62)(H,51,60)(H,52,65)(H,53,66)(H,54,63)(H,55,61)(H,56,64)(H,68,69)/t27-,28-,30-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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n/an/a 11.5n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409359
PNG
(CHEMBL121646)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C46H73N9O12S/c1-24(2)21-32(50-39(59)30(47)22-28-13-15-29(57)16-14-28)40(60)49-31(17-20-68-8)45(65)55-19-10-11-33(55)41(61)48-23-35(58)54-18-9-12-34(54)42(62)51-36(25(3)4)43(63)53-38(27(7)56)44(64)52-37(26(5)6)46(66)67/h13-16,24-27,30-34,36-38,56-57H,9-12,17-23,47H2,1-8H3,(H,48,61)(H,49,60)(H,50,59)(H,51,62)(H,52,64)(H,53,63)(H,66,67)/t27-,30+,31+,32+,33+,34+,36+,37+,38+/m1/s1
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n/an/a 11.7n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409391
PNG
(CHEMBL414923)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C46H78N12O12/c1-9-27(8)36(48)43(66)54-31(19-24(2)3)41(64)52-29(13-10-11-17-47)40(63)53-30(15-16-35(60)61)45(68)58-18-12-14-33(58)42(65)57-37(25(4)5)44(67)55-32(20-28-21-49-23-51-28)39(62)50-22-34(59)56-38(26(6)7)46(69)70/h21,23-27,29-33,36-38H,9-20,22,47-48H2,1-8H3,(H,49,51)(H,50,62)(H,52,64)(H,53,63)(H,54,66)(H,55,67)(H,56,59)(H,57,65)(H,60,61)(H,69,70)/t27-,29-,30-,31-,32-,33-,36-,37-,38-/m0/s1
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n/an/a 12.0n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409318
PNG
(CHEMBL406562)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C57H75N11O12S2/c1-32(2)24-46(57(79)80)66-55(77)47(31-69)67-56(78)48-14-9-21-68(48)49(71)30-61-51(73)44(26-34-28-59-40-12-7-5-10-37(34)40)64-53(75)43(25-33-15-17-36(70)18-16-33)63-54(76)45(27-35-29-60-41-13-8-6-11-38(35)41)65-52(74)42(20-23-82-4)62-50(72)39(58)19-22-81-3/h5-8,10-13,15-18,28-29,32,39,42-48,59-60,69-70H,9,14,19-27,30-31,58H2,1-4H3,(H,61,73)(H,62,72)(H,63,76)(H,64,75)(H,65,74)(H,66,77)(H,67,78)(H,79,80)/t39-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 12.0n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409328
PNG
(CHEMBL405580)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C56H79N9O12/c1-31(2)25-40(57)49(69)60-41(26-32(3)4)51(71)61-42(27-35-13-10-9-11-14-35)50(70)58-30-46(68)59-44(29-37-18-22-39(67)23-19-37)55(75)65-24-12-15-45(65)53(73)63-47(33(5)6)54(74)62-43(28-36-16-20-38(66)21-17-36)52(72)64-48(34(7)8)56(76)77/h9-11,13-14,16-23,31-34,40-45,47-48,66-67H,12,15,24-30,57H2,1-8H3,(H,58,70)(H,59,68)(H,60,69)(H,61,71)(H,62,74)(H,63,73)(H,64,72)(H,76,77)/t40-,41-,42-,43-,44-,45-,47-,48-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409421
PNG
(CHEMBL118138)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C45H75N9O10/c1-13-28(12)38(45(63)64)52-33(56)22-48-40(58)31(20-29-17-15-14-16-18-29)50-43(61)37(27(10)11)54-44(62)35(25(6)7)51-32(55)21-47-39(57)30(19-23(2)3)49-42(60)36(26(8)9)53-41(59)34(46)24(4)5/h14-18,23-28,30-31,34-38H,13,19-22,46H2,1-12H3,(H,47,57)(H,48,58)(H,49,60)(H,50,61)(H,51,55)(H,52,56)(H,53,59)(H,54,62)(H,63,64)/t28-,30-,31-,34-,35-,36-,37-,38-/m0/s1
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n/an/a 14.3n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409460
PNG
(CHEMBL411527)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C42H71N11O14S2/c1-20(2)15-28(49-35(59)25(43)11-13-68-7)36(60)45-18-30(56)51-33(22(5)54)40(64)50-29(16-24-17-44-19-46-24)39(63)53-34(23(6)55)41(65)48-27(12-14-69-8)37(61)47-26(9-10-31(57)58)38(62)52-32(21(3)4)42(66)67/h17,19-23,25-29,32-34,54-55H,9-16,18,43H2,1-8H3,(H,44,46)(H,45,60)(H,47,61)(H,48,65)(H,49,59)(H,50,64)(H,51,56)(H,52,62)(H,53,63)(H,57,58)(H,66,67)/t22-,23-,25+,26+,27+,28+,29+,32+,33+,34+/m1/s1
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n/an/a 14.3n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409381
PNG
(CHEMBL214423)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C63H80N12O13/c1-34(2)24-47(68-59(83)50(28-40-30-66-46-15-11-10-14-44(40)46)72-62(86)53(35(3)4)74-55(79)45(64)25-37-12-8-7-9-13-37)56(80)71-51(29-41-31-65-33-67-41)60(84)70-48(26-38-16-20-42(77)21-17-38)57(81)69-49(27-39-18-22-43(78)23-19-39)58(82)73-52(32-76)61(85)75-54(36(5)6)63(87)88/h7-23,30-31,33-36,45,47-54,66,76-78H,24-29,32,64H2,1-6H3,(H,65,67)(H,68,83)(H,69,81)(H,70,84)(H,71,80)(H,72,86)(H,73,82)(H,74,79)(H,75,85)(H,87,88)/t45-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409422
PNG
(CHEMBL334056)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C44H69N9O12/c1-22(2)19-30(48-37(57)29(45)20-27-13-15-28(55)16-14-27)38(58)47-25(7)43(63)53-18-10-11-31(53)39(59)46-21-33(56)52-17-9-12-32(52)40(60)49-34(23(3)4)41(61)51-36(26(8)54)42(62)50-35(24(5)6)44(64)65/h13-16,22-26,29-32,34-36,54-55H,9-12,17-21,45H2,1-8H3,(H,46,59)(H,47,58)(H,48,57)(H,49,60)(H,50,62)(H,51,61)(H,64,65)/t25-,26+,29-,30-,31-,32-,34-,35-,36-/m0/s1
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n/an/a 15.2n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409457
PNG
(CHEMBL385884)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C46H73N9O14/c1-10-25(8)37(54-38(60)26(9)48-39(61)29(47)19-27-13-15-28(57)16-14-27)44(66)49-30(20-34(58)59)40(62)50-31(18-22(2)3)45(67)55-17-11-12-33(55)42(64)52-35(23(4)5)43(65)51-32(21-56)41(63)53-36(24(6)7)46(68)69/h13-16,22-26,29-33,35-37,56-57H,10-12,17-21,47H2,1-9H3,(H,48,61)(H,49,66)(H,50,62)(H,51,65)(H,52,64)(H,53,63)(H,54,60)(H,58,59)(H,68,69)/t25-,26-,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409347
PNG
(CHEMBL429894)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C48H69N9O13/c1-25(2)21-34(52-41(62)33(49)22-29-11-15-31(59)16-12-29)42(63)53-35(23-30-13-17-32(60)18-14-30)47(68)57-20-8-9-36(57)43(64)50-24-38(61)56-19-7-10-37(56)44(65)54-39(26(3)4)45(66)55-40(28(6)58)46(67)51-27(5)48(69)70/h11-18,25-28,33-37,39-40,58-60H,7-10,19-24,49H2,1-6H3,(H,50,64)(H,51,67)(H,52,62)(H,53,63)(H,54,65)(H,55,66)(H,69,70)/t27-,28+,33-,34-,35-,36-,37-,39-,40-/m0/s1
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n/an/a 16.9n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409333
PNG
(CHEMBL439360)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C44H76N12O13S/c1-22(2)15-29(51-36(60)25(7)46)39(63)50-28(12-14-70-8)38(62)54-32(18-34(58)59)41(65)49-27(11-9-10-13-45)37(61)55-33(20-57)43(67)52-30(16-23(3)4)40(64)53-31(17-26-19-47-21-48-26)42(66)56-35(24(5)6)44(68)69/h19,21-25,27-33,35,57H,9-18,20,45-46H2,1-8H3,(H,47,48)(H,49,65)(H,50,63)(H,51,60)(H,52,67)(H,53,64)(H,54,62)(H,55,61)(H,56,66)(H,58,59)(H,68,69)/t25-,27-,28-,29-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 17.0n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409319
PNG
(CHEMBL265220)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O
Show InChI InChI=1S/C51H73N11O17/c1-25(2)19-33(57-44(71)31(52)15-17-39(53)64)47(74)59-35(21-28-9-7-6-8-10-28)48(75)56-32(16-18-41(66)67)45(72)61-37(24-42(68)69)50(77)60-36(23-40(54)65)49(76)58-34(22-29-11-13-30(63)14-12-29)46(73)55-27(5)43(70)62-38(51(78)79)20-26(3)4/h6-14,25-27,31-38,63H,15-24,52H2,1-5H3,(H2,53,64)(H2,54,65)(H,55,73)(H,56,75)(H,57,71)(H,58,76)(H,59,74)(H,60,77)(H,61,72)(H,62,70)(H,66,67)(H,68,69)(H,78,79)/t27-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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n/an/a 17.2n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409410
PNG
(DISOMOTIDE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C47H74N10O14S/c1-8-26(6)36(49)45(68)51-29(18-20-72-7)39(62)52-31(22-35(60)61)42(65)50-28(16-17-34(48)59)40(63)55-37(24(2)3)46(69)57-19-12-15-33(57)44(67)53-30(21-27-13-10-9-11-14-27)41(64)54-32(23-58)43(66)56-38(25(4)5)47(70)71/h9-11,13-14,24-26,28-33,36-38,58H,8,12,15-23,49H2,1-7H3,(H2,48,59)(H,50,65)(H,51,68)(H,52,62)(H,53,67)(H,54,64)(H,55,63)(H,56,66)(H,60,61)(H,70,71)/t26-,28-,29-,30-,31-,32-,33-,36-,37-,38-/m0/s1
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n/an/a 19.1n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409383
PNG
(CHEMBL263600)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C47H76N10O13/c1-9-27(8)36(49)45(67)52-30(20-24(2)3)40(62)53-32(22-58)42(64)50-29(17-18-35(48)60)39(61)55-37(25(4)5)46(68)57-19-13-16-34(57)44(66)51-31(21-28-14-11-10-12-15-28)41(63)54-33(23-59)43(65)56-38(26(6)7)47(69)70/h10-12,14-15,24-27,29-34,36-38,58-59H,9,13,16-23,49H2,1-8H3,(H2,48,60)(H,50,64)(H,51,66)(H,52,67)(H,53,62)(H,54,63)(H,55,61)(H,56,65)(H,69,70)/t27-,29-,30-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409325
PNG
(CHEMBL437069)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C42H67N9O14/c1-20(2)15-26(44-31(56)17-43)35(57)45-27(16-24-10-12-25(55)13-11-24)36(58)46-28(18-52)37(59)47-29(19-53)38(60)50-34(23(7)54)40(62)48-32(21(3)4)41(63)51-14-8-9-30(51)39(61)49-33(22(5)6)42(64)65/h10-13,20-23,26-30,32-34,52-55H,8-9,14-19,43H2,1-7H3,(H,44,56)(H,45,57)(H,46,58)(H,47,59)(H,48,62)(H,49,61)(H,50,60)(H,64,65)/t23-,26+,27+,28+,29+,30+,32+,33+,34+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409326
PNG
(CHEMBL263599)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C48H85N13O16/c1-22(2)19-31(57-39(68)27(49)11-10-18-53-48(51)52)44(73)59-32(20-23(3)4)43(72)55-28(12-15-34(50)63)40(69)54-30(14-17-36(66)67)42(71)61-38(26(9)62)46(75)56-29(13-16-35(64)65)41(70)58-33(21-24(5)6)45(74)60-37(25(7)8)47(76)77/h22-33,37-38,62H,10-21,49H2,1-9H3,(H2,50,63)(H,54,69)(H,55,72)(H,56,75)(H,57,68)(H,58,70)(H,59,73)(H,60,74)(H,61,71)(H,64,65)(H,66,67)(H,76,77)(H4,51,52,53)/t26-,27+,28+,29+,30+,31+,32+,33+,37+,38+/m1/s1
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n/an/a 20.8n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409418
PNG
(CHEMBL431673)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C41H63N9O16/c1-19(2)13-25(45-34(58)24(42)16-51)36(60)46-26(14-22-8-10-23(54)11-9-22)35(59)43-21(5)33(57)44-27(15-31(55)56)37(61)48-29(18-53)40(64)50-12-6-7-30(50)39(63)47-28(17-52)38(62)49-32(20(3)4)41(65)66/h8-11,19-21,24-30,32,51-54H,6-7,12-18,42H2,1-5H3,(H,43,59)(H,44,57)(H,45,58)(H,46,60)(H,47,63)(H,48,61)(H,49,62)(H,55,56)(H,65,66)/t21-,24-,25-,26-,27-,28-,29-,30-,32-/m0/s1
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n/an/a 22.0n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409409
PNG
(CHEMBL266418)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H85N15O13/c1-9-26(8)38(62-42(70)30(20-23(2)3)59-44(72)37(52)25(6)7)45(73)58-29(15-17-35(50)65)40(68)56-27(12-10-18-55-48(53)54)39(67)60-31(22-36(51)66)46(74)63-19-11-13-33(63)43(71)57-28(14-16-34(49)64)41(69)61-32(47(75)76)21-24(4)5/h23-33,37-38H,9-22,52H2,1-8H3,(H2,49,64)(H2,50,65)(H2,51,66)(H,56,68)(H,57,71)(H,58,73)(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,75,76)(H4,53,54,55)/t26-,27-,28-,29-,30-,31-,32-,33-,37-,38-/m0/s1
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n/an/a 22.7n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409358
PNG
(CHEMBL331323)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C44H69N9O13/c1-22(2)18-29(47-37(58)28(45)19-26-12-14-27(56)15-13-26)38(59)48-30(21-54)43(64)53-17-9-10-31(53)39(60)46-20-33(57)52-16-8-11-32(52)40(61)49-34(23(3)4)41(62)51-36(25(7)55)42(63)50-35(24(5)6)44(65)66/h12-15,22-25,28-32,34-36,54-56H,8-11,16-21,45H2,1-7H3,(H,46,60)(H,47,58)(H,48,59)(H,49,61)(H,50,63)(H,51,62)(H,65,66)/t25-,28+,29+,30+,31+,32+,34+,35+,36+/m1/s1
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n/an/a 22.8n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409354
PNG
(CHEMBL323837)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C48H81N9O10/c1-25(2)19-33(51-38(58)24-50-46(64)39(29(9)10)56-44(62)35(21-27(5)6)52-41(59)31(13)49)42(60)53-36(23-32-17-15-14-16-18-32)45(63)57-40(30(11)12)47(65)54-34(20-26(3)4)43(61)55-37(48(66)67)22-28(7)8/h14-18,25-31,33-37,39-40H,19-24,49H2,1-13H3,(H,50,64)(H,51,58)(H,52,59)(H,53,60)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,66,67)/t31-,33-,34-,35-,36-,37-,39-,40-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409384
PNG
(CHEMBL217741)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C47H70N12O17/c1-21(2)11-28(52-39(67)27(48)19-60)40(68)57-34(17-37(65)66)45(73)58-33(16-36(63)64)44(72)54-30(13-24-7-9-26(61)10-8-24)41(69)56-32(15-35(49)62)43(71)55-31(14-25-18-50-20-51-25)42(70)53-29(12-22(3)4)46(74)59-38(23(5)6)47(75)76/h7-10,18,20-23,27-34,38,60-61H,11-17,19,48H2,1-6H3,(H2,49,62)(H,50,51)(H,52,67)(H,53,70)(H,54,72)(H,55,71)(H,56,69)(H,57,68)(H,58,73)(H,59,74)(H,63,64)(H,65,66)(H,75,76)/t27-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409364
PNG
(CHEMBL214420)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C54H93N9O10S/c1-15-35(14)45(53(71)60-42(27-36-19-17-16-18-20-36)50(68)58-39(23-31(6)7)48(66)61-43(54(72)73)26-34(12)13)63-51(69)41(25-33(10)11)59-52(70)44(28-74)62-49(67)40(24-32(8)9)57-47(65)38(22-30(4)5)56-46(64)37(55)21-29(2)3/h16-20,29-35,37-45,74H,15,21-28,55H2,1-14H3,(H,56,64)(H,57,65)(H,58,68)(H,59,70)(H,60,71)(H,61,66)(H,62,67)(H,63,69)(H,72,73)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409406
PNG
(CHEMBL118999)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C41H75N9O11S/c1-19(2)16-27(37(56)50-32(23(9)10)41(60)61)46-34(53)24(11)44-39(58)31(22(7)8)49-36(55)28(17-20(3)4)47-40(59)33(25(12)51)48-29(52)18-43-35(54)26(14-15-62-13)45-38(57)30(42)21(5)6/h19-28,30-33,51H,14-18,42H2,1-13H3,(H,43,54)(H,44,58)(H,45,57)(H,46,53)(H,47,59)(H,48,52)(H,49,55)(H,50,56)(H,60,61)/t24-,25+,26-,27-,28-,30-,31-,32-,33-/m0/s1
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n/an/a 28.0n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409388
PNG
(CHEMBL415514)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C53H82N14O12/c1-7-31(6)44(53(78)79)66-51(76)43-12-10-18-67(43)52(77)41(23-34-25-57-28-59-34)64-50(75)42(26-68)65-48(73)39(21-32-13-15-35(69)16-14-32)62-47(72)38(20-30(4)5)61-49(74)40(22-33-24-56-27-58-33)63-46(71)37(19-29(2)3)60-45(70)36(55)11-8-9-17-54/h13-16,24-25,27-31,36-44,68-69H,7-12,17-23,26,54-55H2,1-6H3,(H,56,58)(H,57,59)(H,60,70)(H,61,74)(H,62,72)(H,63,71)(H,64,75)(H,65,73)(H,66,76)(H,78,79)/t31-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 29.4n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen A-3


(Homo sapiens)
BDBM50409325
PNG
(CHEMBL437069)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C42H67N9O14/c1-20(2)15-26(44-31(56)17-43)35(57)45-27(16-24-10-12-25(55)13-11-24)36(58)46-28(18-52)37(59)47-29(19-53)38(60)50-34(23(7)54)40(62)48-32(21(3)4)41(63)51-14-8-9-30(51)39(61)49-33(22(5)6)42(64)65/h10-13,20-23,26-30,32-34,52-55H,8-9,14-19,43H2,1-7H3,(H,44,56)(H,45,57)(H,46,58)(H,47,59)(H,48,62)(H,49,61)(H,50,60)(H,64,65)/t23-,26+,27+,28+,29+,30+,32+,33+,34+/m1/s1
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PubMed
n/an/a 33.0n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)


J Med Chem 44: 3572-81 (2001)

More data for this
Ligand-Target Pair
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