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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM50068217'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068217
PNG
(CHEMBL3403316)
Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
Show InChI InChI=1S/C38H56N6O7/c1-8-43(9-2)37(49)31(21-26-16-17-27-13-10-11-14-28(27)20-26)41-35(47)30(19-23(3)4)40-36(48)33(24(5)6)42-34(46)29(39)22-51-38(50)32-15-12-18-44(32)25(7)45/h10-11,13-14,16-17,20,23-24,29-33H,8-9,12,15,18-19,21-22,39H2,1-7H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,33-/m0/s1
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Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Hebei University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem 23: 2562-7 (2015)


Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3
More data for this
Ligand-Target Pair