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BDBM50276389 4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-2-oxoethyl)(benzyl)amino)-1,5-dioxopentan-2-ylamino)-3-oxopropyl)phenyl dihydrogen phosphate::CHEMBL453469

SMILES: CC(C)C[C@H](NC(=O)CN(Cc1ccccc1)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O

InChI Key: InChIKey=MXVIMDQAUSLJIO-GSDHBNRESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276389   
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
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276389
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(Cc1ccccc1)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C31H43N6O10P/c1-19(2)15-25(29(33)41)35-28(40)18-37(17-22-7-5-4-6-8-22)31(43)24(13-14-27(32)39)36-30(42)26(34-20(3)38)16-21-9-11-23(12-10-21)47-48(44,45)46/h4-12,19,24-26H,13-18H2,1-3H3,(H2,32,39)(H2,33,41)(H,34,38)(H,35,40)(H,36,42)(H2,44,45,46)/t24-,25-,26-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair