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SMILES: COc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1OC

InChI Key: InChIKey=YMBFYSVSIQCXRQ-UHFFFAOYSA-N

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 3 hits for monomerid = 94977   
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


(Homo sapiens (Human))
BDBM94977
PNG
(4-N-(3,4-dimethoxyphenyl)-2-N-(thiophen-2-ylmethyl...)
Show SMILES COc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1OC
Show InChI InChI=1S/C19H18N4O2S2/c1-24-15-6-5-12(10-16(15)25-2)21-18-17-14(7-9-27-17)22-19(23-18)20-11-13-4-3-8-26-13/h3-10H,11H2,1-2H3,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.64E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94977
PNG
(4-N-(3,4-dimethoxyphenyl)-2-N-(thiophen-2-ylmethyl...)
Show SMILES COc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1OC
Show InChI InChI=1S/C19H18N4O2S2/c1-24-15-6-5-12(10-16(15)25-2)21-18-17-14(7-9-27-17)22-19(23-18)20-11-13-4-3-8-26-13/h3-10H,11H2,1-2H3,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.27E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM94977
PNG
(4-N-(3,4-dimethoxyphenyl)-2-N-(thiophen-2-ylmethyl...)
Show SMILES COc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1OC
Show InChI InChI=1S/C19H18N4O2S2/c1-24-15-6-5-12(10-16(15)25-2)21-18-17-14(7-9-27-17)22-19(23-18)20-11-13-4-3-8-26-13/h3-10H,11H2,1-2H3,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.16E+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