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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP' and Ligand = 'BDBM76338'   
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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM76338
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)thiazol-4-yl]ben...)
Show SMILES CCOC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C27H23ClN4O4S/c1-2-35-25(33)16-36-23-13-3-18(4-14-23)15-29-32-26(34)20-7-5-19(6-8-20)24-17-37-27(31-24)30-22-11-9-21(28)10-12-22/h3-15,17H,2,16H2,1H3,(H,30,31)(H,32,34)/b29-15+
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 6.08E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2F76B1X
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM76338
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)thiazol-4-yl]ben...)
Show SMILES CCOC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C27H23ClN4O4S/c1-2-35-25(33)16-36-23-13-3-18(4-14-23)15-29-32-26(34)20-7-5-19(6-8-20)24-17-37-27(31-24)30-22-11-9-21(28)10-12-22/h3-15,17H,2,16H2,1H3,(H,30,31)(H,32,34)/b29-15+
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.90E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072R7
More data for this
Ligand-Target Pair