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BDBM46186 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,3-bis(2-furanyl)-6-quinoxalinyl]urea::1-(1,3-benzodioxol-5-ylmethyl)-3-[2,3-bis(furan-2-yl)quinoxalin-6-yl]urea::1-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-piperonyl-urea::MLS-0202051.0001::cid_1299058

SMILES: O=C(NCc1ccc2OCOc2c1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

InChI Key: InChIKey=FJFWBXPNYHHTEH-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 = 46186   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46186
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-3-[2,3-bis(2-furany...)
Show SMILES O=C(NCc1ccc2OCOc2c1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H18N4O5/c30-25(26-13-15-5-8-19-22(11-15)34-14-33-19)27-16-6-7-17-18(12-16)29-24(21-4-2-10-32-21)23(28-17)20-3-1-9-31-20/h1-12H,13-14H2,(H2,26,27,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46186
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-3-[2,3-bis(2-furany...)
Show SMILES O=C(NCc1ccc2OCOc2c1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H18N4O5/c30-25(26-13-15-5-8-19-22(11-15)34-14-33-19)27-16-6-7-17-18(12-16)29-24(21-4-2-10-32-21)23(28-17)20-3-1-9-31-20/h1-12H,13-14H2,(H2,26,27,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair