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BDBM50409347 CHEMBL429894

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=GNHAGMDVBNZBRM-UAVVIPHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409347   
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))		BDBM50409347
PNG
(CHEMBL429894)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C48H69N9O13/c1-25(2)21-34(52-41(62)33(49)22-29-11-15-31(59)16-12-29)42(63)53-35(23-30-13-17-32(60)18-14-30)47(68)57-20-8-9-36(57)43(64)50-24-38(61)56-19-7-10-37(56)44(65)54-39(26(3)4)45(66)55-40(28(6)58)46(67)51-27(5)48(69)70/h11-18,25-28,33-37,39-40,58-60H,7-10,19-24,49H2,1-6H3,(H,50,64)(H,51,67)(H,52,62)(H,53,63)(H,54,65)(H,55,66)(H,69,70)/t27-,28+,33-,34-,35-,36-,37-,39-,40-/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 16.9n/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