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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50409414   
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
HLA class I histocompatibility antigen, A alpha chain


(Homo sapiens (Human))		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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q23B61B5
More data for this
Ligand-Target Pair