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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

InChI Key: InChIKey=HTSYKFOIJPUCCV-PHBDXZLPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409422   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		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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MMDB

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PC cid
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Similars
PubMed
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)


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