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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 (LMWPTP)' and Ligand = 'BDBM51850'   
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 (LMWPTP)


(Homo sapiens (Human))
BDBM51850
PNG
(7-(4-{[(4-bromobenzoyl)amino]carbonothioyl}piperaz...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrFN4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-7-9-30(10-8-29)24(35)27-22(32)14-3-5-15(25)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.17E+3n/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 (LMWPTP)


(Homo sapiens (Human))
BDBM51850
PNG
(7-(4-{[(4-bromobenzoyl)amino]carbonothioyl}piperaz...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrFN4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-7-9-30(10-8-29)24(35)27-22(32)14-3-5-15(25)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

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