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BDBM50276394 4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-2-oxoethyl)(2-methoxyethyl)amino)-1,5-dioxopentan-2-ylamino)-3-oxopropyl)phenyl dihydrogen phosphate::CHEMBL446509

SMILES: COCCN(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=KBYUSMOVDJXUMW-FKBYEOEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276394   
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))
BDBM50276394
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES COCCN(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/C27H43N6O11P/c1-16(2)13-21(25(29)37)31-24(36)15-33(11-12-43-4)27(39)20(9-10-23(28)35)32-26(38)22(30-17(3)34)14-18-5-7-19(8-6-18)44-45(40,41)42/h5-8,16,20-22H,9-15H2,1-4H3,(H2,28,35)(H2,29,37)(H,30,34)(H,31,36)(H,32,38)(H2,40,41,42)/t20-,21-,22-/m0/s1
PDB
MMDB

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KEGG

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+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