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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 = 'BDBM46222'   
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))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 195n/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))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.17E+3n/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