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BDBM50276397 4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-2-oxoethyl)(pent-4-enyl)amino)-1,5-dioxopentan-2-ylamino)-3-oxopropyl)phenyl dihydrogen phosphate::CHEMBL454525

SMILES: CC(C)C[C@H](NC(=O)CN(CCCC=C)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=GUCMOEGXTGEAGI-HJOGWXRNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276397   
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))
BDBM50276397
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCCC=C)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/C29H45N6O10P/c1-5-6-7-14-35(17-26(38)33-23(27(31)39)15-18(2)3)29(41)22(12-13-25(30)37)34-28(40)24(32-19(4)36)16-20-8-10-21(11-9-20)45-46(42,43)44/h5,8-11,18,22-24H,1,6-7,12-17H2,2-4H3,(H2,30,37)(H2,31,39)(H,32,36)(H,33,38)(H,34,40)(H2,42,43,44)/t22-,23-,24-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.60E+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