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BDBM50409457 CHEMBL385884

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

InChI Key: InChIKey=PPUHGNUKDZOFLP-VRDCTLMRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409457   
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))		BDBM50409457
PNG
(CHEMBL385884)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C46H73N9O14/c1-10-25(8)37(54-38(60)26(9)48-39(61)29(47)19-27-13-15-28(57)16-14-27)44(66)49-30(20-34(58)59)40(62)50-31(18-22(2)3)45(67)55-17-11-12-33(55)42(64)52-35(23(4)5)43(65)51-32(21-56)41(63)53-36(24(6)7)46(68)69/h13-16,22-26,29-33,35-37,56-57H,10-12,17-21,47H2,1-9H3,(H,48,61)(H,49,66)(H,50,62)(H,51,65)(H,52,64)(H,53,63)(H,54,60)(H,58,59)(H,68,69)/t25-,26-,29-,30-,31-,32-,33-,35-,36-,37-/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 16n/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