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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic protein-tyrosine phosphatase (HEPTP)' and Ligand = 'BDBM31751'   
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 protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31751
PNG
(3-[(2-chlorobenzyl)thio]-5,6-bis(2-furyl)-1,2,4-tr...)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C18H12ClN3O2S/c19-13-6-2-1-5-12(13)11-25-18-20-16(14-7-3-9-23-14)17(21-22-18)15-8-4-10-24-15/h1-10H,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 329n/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 (2009)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31751
PNG
(3-[(2-chlorobenzyl)thio]-5,6-bis(2-furyl)-1,2,4-tr...)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C18H12ClN3O2S/c19-13-6-2-1-5-12(13)11-25-18-20-16(14-7-3-9-23-14)17(21-22-18)15-8-4-10-24-15/h1-10H,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.06E+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 (2009)

More data for this
Ligand-Target Pair