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BDBM50409402 CHEMBL402481

SMILES: CSCC[C@H](NC(=O)[C@@H](N)CC(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](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=WNPIQWQYALJHNJ-LOVBEFMQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409402   
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))		BDBM50409402
PNG
(CHEMBL402481)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)CC(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](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H74N10O11S/c1-30(2)42(58-45(65)35(22-26-74-5)55-44(64)34(53)29-41(54)63)51(71)61-24-13-19-38(61)47(67)56-36(27-32-15-8-6-9-16-32)46(66)57-37(28-33-17-10-7-11-18-33)49(69)62-25-14-21-40(62)50(70)60-23-12-20-39(60)48(68)59-43(31(3)4)52(72)73/h6-11,15-18,30-31,34-40,42-43H,12-14,19-29,53H2,1-5H3,(H2,54,63)(H,55,64)(H,56,67)(H,57,66)(H,58,65)(H,59,68)(H,72,73)/t34-,35-,36-,37-,38-,39-,40-,42-,43-/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 4n/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