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BDBM50409333 CHEMBL439360

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=UVGCBOSBUYHJPJ-OOXFPACXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409333   
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))		BDBM50409333
PNG
(CHEMBL439360)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C44H76N12O13S/c1-22(2)15-29(51-36(60)25(7)46)39(63)50-28(12-14-70-8)38(62)54-32(18-34(58)59)41(65)49-27(11-9-10-13-45)37(61)55-33(20-57)43(67)52-30(16-23(3)4)40(64)53-31(17-26-19-47-21-48-26)42(66)56-35(24(5)6)44(68)69/h19,21-25,27-33,35,57H,9-18,20,45-46H2,1-8H3,(H,47,48)(H,49,65)(H,50,63)(H,51,60)(H,52,67)(H,53,64)(H,54,62)(H,55,61)(H,56,66)(H,58,59)(H,68,69)/t25-,27-,28-,29-,30-,31-,32-,33-,35-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 17.0n/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