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BDBM50409360 CHEMBL440266

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

InChI Key: InChIKey=FBCNJZWKVKBWHO-XLPSYNRASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409360   
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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