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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 = 'BDBM46224'   
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))
BDBM46224
PNG
(2-[2-bromanyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-o...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C21H19BrN2O5S/c1-3-12-4-6-14(7-5-12)23-21-24-20(27)17(30-21)10-13-8-15(22)19(16(9-13)28-2)29-11-18(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)(H,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 280n/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))
BDBM46224
PNG
(2-[2-bromanyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-o...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C21H19BrN2O5S/c1-3-12-4-6-14(7-5-12)23-21-24-20(27)17(30-21)10-13-8-15(22)19(16(9-13)28-2)29-11-18(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)(H,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 320n/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