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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 22' and Ligand = 'BDBM88721'   
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 22


(Homo sapiens (Human))
BDBM88721
PNG
((4E)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)...)
Show SMILES OC(=O)CC[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCC1)c1cccs1
Show InChI InChI=1S/C18H19N4O6S2/c23-18(24)8-7-15(17-4-3-11-29-17)20-19-14-6-5-13(12-16(14)22(25)26)30(27,28)21-9-1-2-10-21/h3-6,11-12H,1-2,7-10H2,(H,23,24)/q-1/p+1/b20-19+
PDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair