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BDBM50409382 CHEMBL407429

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)C)C(O)=O

InChI Key: InChIKey=CTVQTVFSPUNFAV-RTSPOZACSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409382   
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))		BDBM50409382
PNG
(CHEMBL407429)
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)C)C(O)=O
Show InChI InChI=1S/C50H73N9O13/c1-26(2)22-35(53-43(64)34(51)23-30-12-16-32(61)17-13-30)44(65)54-36(24-31-14-18-33(62)19-15-31)49(70)59-21-9-10-37(59)45(66)52-25-39(63)58-20-8-11-38(58)46(67)55-40(27(3)4)47(68)57-42(29(7)60)48(69)56-41(28(5)6)50(71)72/h12-19,26-29,34-38,40-42,60-62H,8-11,20-25,51H2,1-7H3,(H,52,66)(H,53,64)(H,54,65)(H,55,67)(H,56,69)(H,57,68)(H,71,72)/t29-,34+,35+,36+,37+,38+,40+,41+,42+/m1/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 8.89n/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