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BDBM50409328 CHEMBL405580

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

InChI Key: InChIKey=BUTXAHWFQUYLDT-JAOFDYSYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409328   
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-3


(Homo sapiens (Human))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
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)


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