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BDBM44469 2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxalinecarboxamide::2,3-bis(2-furyl)-N-phenethyl-quinoxaline-6-carboxamide::2,3-bis(furan-2-yl)-N-(2-phenylethyl)quinoxaline-6-carboxamide::MLS000520651::SMR000131061::cid_5076888

SMILES: O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

InChI Key: InChIKey=PNWLIGGQZQMFPW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 44469   
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
Eph receptor A4


(Mus musculus)
BDBM44469
PNG
(2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxaline...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c29-25(26-13-12-17-6-2-1-3-7-17)18-10-11-19-20(16-18)28-24(22-9-5-15-31-22)23(27-19)21-8-4-14-30-21/h1-11,14-16H,12-13H2,(H,26,29)
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MMDB

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UniChem
PCBioAssay
n/an/a 2.13E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44469
PNG
(2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxaline...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c29-25(26-13-12-17-6-2-1-3-7-17)18-10-11-19-20(16-18)28-24(22-9-5-15-31-22)23(27-19)21-8-4-14-30-21/h1-11,14-16H,12-13H2,(H,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM44469
PNG
(2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxaline...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c29-25(26-13-12-17-6-2-1-3-7-17)18-10-11-19-20(16-18)28-24(22-9-5-15-31-22)23(27-19)21-8-4-14-30-21/h1-11,14-16H,12-13H2,(H,26,29)
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n/an/a 1.05E+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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM44469
PNG
(2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxaline...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c29-25(26-13-12-17-6-2-1-3-7-17)18-10-11-19-20(16-18)28-24(22-9-5-15-31-22)23(27-19)21-8-4-14-30-21/h1-11,14-16H,12-13H2,(H,26,29)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM44469
PNG
(2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxaline...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c29-25(26-13-12-17-6-2-1-3-7-17)18-10-11-19-20(16-18)28-24(22-9-5-15-31-22)23(27-19)21-8-4-14-30-21/h1-11,14-16H,12-13H2,(H,26,29)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM44469
PNG
(2,3-bis(2-furanyl)-N-(2-phenylethyl)-6-quinoxaline...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c29-25(26-13-12-17-6-2-1-3-7-17)18-10-11-19-20(16-18)28-24(22-9-5-15-31-22)23(27-19)21-8-4-14-30-21/h1-11,14-16H,12-13H2,(H,26,29)
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n/an/a 3.10E+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