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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Low molecular weight phosphotyrosine protein phosphatase' and Ligand = 'BDBM88791'   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.82E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB

UniProtKB/SwissProt

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




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair