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BDBM50276395 4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-2-oxoethyl)(4-methylpentyl)amino)-1,5-dioxopentan-2-ylamino)-3-oxopropyl)phenyl dihydrogen phosphate::CHEMBL447641

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

InChI Key: InChIKey=BZBGGBNWNYHJQO-SDHOMARFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276395   
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))
BDBM50276395
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)CCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C30H49N6O10P/c1-18(2)7-6-14-36(17-27(39)34-24(28(32)40)15-19(3)4)30(42)23(12-13-26(31)38)35-29(41)25(33-20(5)37)16-21-8-10-22(11-9-21)46-47(43,44)45/h8-11,18-19,23-25H,6-7,12-17H2,1-5H3,(H2,31,38)(H2,32,40)(H,33,37)(H,34,39)(H,35,41)(H2,43,44,45)/t23-,24-,25-/m0/s1
PDB
MMDB

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KEGG

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+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