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BDBM94902 2-N-(cyclopropylmethyl)-4-N-[(2,3-dimethoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine::MLS003122959::N2-(cyclopropylmethyl)-N4-[(2,3-dimethoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine::SMR001277993::cid_49792581::cyclopropylmethyl-[4-(o-veratrylamino)thieno[3,2-d]pyrimidin-2-yl]amine

SMILES: COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC

InChI Key: InChIKey=KCLORRYCIDBKPU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 94902   
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))
BDBM94902
PNG
(2-N-(cyclopropylmethyl)-4-N-[(2,3-dimethoxyphenyl)...)
Show SMILES COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC
Show InChI InChI=1S/C19H22N4O2S/c1-24-15-5-3-4-13(16(15)25-2)11-20-18-17-14(8-9-26-17)22-19(23-18)21-10-12-6-7-12/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.15E+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))
BDBM94902
PNG
(2-N-(cyclopropylmethyl)-4-N-[(2,3-dimethoxyphenyl)...)
Show SMILES COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC
Show InChI InChI=1S/C19H22N4O2S/c1-24-15-5-3-4-13(16(15)25-2)11-20-18-17-14(8-9-26-17)22-19(23-18)21-10-12-6-7-12/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.33E+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))
BDBM94902
PNG
(2-N-(cyclopropylmethyl)-4-N-[(2,3-dimethoxyphenyl)...)
Show SMILES COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC
Show InChI InChI=1S/C19H22N4O2S/c1-24-15-5-3-4-13(16(15)25-2)11-20-18-17-14(8-9-26-17)22-19(23-18)21-10-12-6-7-12/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+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