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BDBM50409315 CHEMBL415611

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)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=XGIRQGPRMMOKDN-AIHPHYABSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409315   
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))		BDBM50409315
PNG
(CHEMBL415611)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)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/C51H74N10O15/c1-26(2)21-34(55-43(67)32(52)22-30-14-16-31(63)17-15-30)45(69)56-36(24-40(65)66)47(71)54-33(18-19-39(53)64)44(68)59-41(27(3)4)50(74)61-20-10-13-38(61)49(73)57-35(23-29-11-8-7-9-12-29)46(70)58-37(25-62)48(72)60-42(28(5)6)51(75)76/h7-9,11-12,14-17,26-28,32-38,41-42,62-63H,10,13,18-25,52H2,1-6H3,(H2,53,64)(H,54,71)(H,55,67)(H,56,69)(H,57,73)(H,58,70)(H,59,68)(H,60,72)(H,65,66)(H,75,76)/t32-,33-,34-,35-,36-,37-,38-,41-,42-/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 2.30n/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