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BDBM50409409 CHEMBL266418

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

InChI Key: InChIKey=JMGPMAQDFZRAPE-YHLQJTEESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409409   
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))		BDBM50409409
PNG
(CHEMBL266418)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H85N15O13/c1-9-26(8)38(62-42(70)30(20-23(2)3)59-44(72)37(52)25(6)7)45(73)58-29(15-17-35(50)65)40(68)56-27(12-10-18-55-48(53)54)39(67)60-31(22-36(51)66)46(74)63-19-11-13-33(63)43(71)57-28(14-16-34(49)64)41(69)61-32(47(75)76)21-24(4)5/h23-33,37-38H,9-22,52H2,1-8H3,(H2,49,64)(H2,50,65)(H2,51,66)(H,56,68)(H,57,71)(H,58,73)(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,75,76)(H4,53,54,55)/t26-,27-,28-,29-,30-,31-,32-,33-,37-,38-/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 22.7n/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