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BDBM94926 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine::2-methoxyethyl-[4-[(5-methylpyrazin-2-yl)methylamino]thieno[3,2-d]pyrimidin-2-yl]amine::MLS003122929::N2-(2-methoxyethyl)-N4-[(5-methyl-2-pyrazinyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine::N2-(2-methoxyethyl)-N4-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine::SMR001277936::cid_46944015

SMILES: COCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1

InChI Key: InChIKey=SRLVFZVOJORASU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 94926   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM94926
PNG
(2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)me...)
Show SMILES COCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1
Show InChI InChI=1S/C15H18N6OS/c1-10-7-18-11(8-17-10)9-19-14-13-12(3-6-23-13)20-15(21-14)16-4-5-22-2/h3,6-8H,4-5,9H2,1-2H3,(H2,16,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.04E+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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94926
PNG
(2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)me...)
Show SMILES COCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1
Show InChI InChI=1S/C15H18N6OS/c1-10-7-18-11(8-17-10)9-19-14-13-12(3-6-23-13)20-15(21-14)16-4-5-22-2/h3,6-8H,4-5,9H2,1-2H3,(H2,16,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.35E+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