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Assay Detail

CHEMBL660105

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)
151
Total Activities
150
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

HLA class I histocompatibility antigen, A alpha chain (CHEMBL2632)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Toward the quantitative prediction of T-cell epitopes: coMFA and coMSIA studies of peptides with affinity for the class I MHC molecule HLA-A*0201.
Doytchinova IA, Flower DR.
J Med Chem (2001) 44 : 3572 -3581
PubMed 11606121 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 151 7.06 8.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL402482 1 8.77
CHEMBL412034 1 8.70
CHEMBL410648 1 8.66
CHEMBL415611 1 8.64
CHEMBL386178 1 8.49
CHEMBL386299 1 8.49
CHEMBL426344 1 8.48
CHEMBL402481 1 8.40
CHEMBL122183 1 8.37
CHEMBL110989 1 8.35
CHEMBL440266 1 8.31
CHEMBL428098 1 8.24
CHEMBL325914 1 8.24
CHEMBL407614 1 8.15
CHEMBL405270 1 8.12
CHEMBL437514 1 8.12
CHEMBL263228 1 8.10
CHEMBL407429 1 8.05
CHEMBL216627 1 8.05
CHEMBL430065 1 8.05
CHEMBL120035 1 8.03
CHEMBL331109 ALMPLYACI 1 8.00
CHEMBL385441 1 7.96
CHEMBL263173 1 7.94
CHEMBL263685 1 7.94
CHEMBL121646 1 7.93
CHEMBL414923 1 7.92
CHEMBL406562 1 7.92
CHEMBL405580 1 7.89
CHEMBL411527 1 7.84

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL402482 IC50 = 1.698 nM 8.77
CHEMBL412034 IC50 = 2.0 nM 8.70
CHEMBL410648 IC50 = 2.198 nM 8.66
CHEMBL415611 IC50 = 2.301 nM 8.64
CHEMBL386299 IC50 = 3.199 nM 8.49
CHEMBL386178 IC50 = 3.199 nM 8.49
CHEMBL426344 IC50 = 3.304 nM 8.48
CHEMBL402481 IC50 = 3.999 nM 8.40
CHEMBL122183 IC50 = 4.295 nM 8.37
CHEMBL110989 IC50 = 4.498 nM 8.35
CHEMBL440266 IC50 = 4.898 nM 8.31
CHEMBL325914 IC50 = 5.794 nM 8.24
CHEMBL428098 IC50 = 5.794 nM 8.24
CHEMBL407614 IC50 = 7.096 nM 8.15
CHEMBL405270 IC50 = 7.499 nM 8.12
CHEMBL437514 IC50 = 7.499 nM 8.12
CHEMBL263228 IC50 = 7.998 nM 8.10
CHEMBL430065 IC50 = 8.851 nM 8.05
CHEMBL407429 IC50 = 8.892 nM 8.05
CHEMBL216627 IC50 = 8.954 nM 8.05
CHEMBL120035 IC50 = 9.29 nM 8.03
CHEMBL331109 ALMPLYACI IC50 = 10.0 nM 8.00
CHEMBL385441 IC50 = 11.09 nM 7.96
CHEMBL263685 IC50 = 11.51 nM 7.94
CHEMBL263173 IC50 = 11.51 nM 7.94
CHEMBL121646 IC50 = 11.69 nM 7.93
CHEMBL406562 IC50 = 11.99 nM 7.92
CHEMBL414923 IC50 = 11.99 nM 7.92
CHEMBL405580 IC50 = 13.0 nM 7.89
CHEMBL411527 IC50 = 14.29 nM 7.84
CHEMBL118138 IC50 = 14.29 nM 7.84
CHEMBL334056 IC50 = 15.21 nM 7.82
CHEMBL214423 IC50 = 15.0 nM 7.82
CHEMBL385884 IC50 = 16.0 nM 7.80
CHEMBL439360 IC50 = 16.98 nM 7.77
CHEMBL429894 IC50 = 16.9 nM 7.77
CHEMBL265220 IC50 = 17.22 nM 7.76
CHEMBL263429 DISOMOTIDE IC50 = 19.1 nM 7.72
CHEMBL437069 IC50 = 20.0 nM 7.70
CHEMBL263600 IC50 = 20.0 nM 7.70
CHEMBL263599 IC50 = 20.8 nM 7.68
CHEMBL431673 IC50 = 21.98 nM 7.66
CHEMBL266418 IC50 = 22.7 nM 7.64
CHEMBL331323 IC50 = 22.8 nM 7.64
CHEMBL217741 IC50 = 26.0 nM 7.58
CHEMBL214420 IC50 = 26.0 nM 7.58
CHEMBL323837 IC50 = 26.0 nM 7.58
CHEMBL118999 IC50 = 27.99 nM 7.55
CHEMBL415514 IC50 = 29.38 nM 7.53
CHEMBL437069 IC50 = 33.04 nM 7.48