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BDBM94956 3-[(2,6-dichlorophenyl)methyl]-N-(2-furanylmethyl)-6-purinamine::3-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine::3-[[2,6-bis(chloranyl)phenyl]methyl]-N-(furan-2-ylmethyl)purin-6-amine::MLS000039586::SMR000036870::[3-(2,6-dichlorobenzyl)purin-6-yl]-(2-furfuryl)amine::cid_665906

SMILES: Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc12

InChI Key: InChIKey=XJMKLSBGAITQGU-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 = 94956   
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))
BDBM94956
PNG
(3-[(2,6-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc12
Show InChI InChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-16(15-17(24)22-9-21-15)20-7-11-3-2-6-25-11/h1-6,9-10,20H,7-8H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.06E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94956
PNG
(3-[(2,6-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc12
Show InChI InChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-16(15-17(24)22-9-21-15)20-7-11-3-2-6-25-11/h1-6,9-10,20H,7-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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/Q2DN43N5
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94956
PNG
(3-[(2,6-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc12
Show InChI InChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-16(15-17(24)22-9-21-15)20-7-11-3-2-6-25-11/h1-6,9-10,20H,7-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.54E+3n/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