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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 5' and Ligand = 'BDBM80548'   
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 5


(Homo sapiens (Human))
BDBM80548
PNG
((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Show SMILES COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O
Show InChI InChI=1S/C19H17NO7S/c1-27-14-4-2-3-13(10-14)20-16(11-19(23)24)15-7-5-12(6-8-18(21)22)9-17(15)28(20,25)26/h2-10,16H,11H2,1H3,(H,21,22)(H,23,24)/b8-6+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.21E+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/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM80548
PNG
((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Show SMILES COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O
Show InChI InChI=1S/C19H17NO7S/c1-27-14-4-2-3-13(10-14)20-16(11-19(23)24)15-7-5-12(6-8-18(21)22)9-17(15)28(20,25)26/h2-10,16H,11H2,1H3,(H,21,22)(H,23,24)/b8-6+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+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/Q2KH0KWR
More data for this
Ligand-Target Pair