BindingDB logo
myBDB logout

BDBM33077 1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxypropyl)urea::1-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-(3-hydroxypropyl)urea::1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-hydroxypropyl)urea::1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-oxidanylpropyl)urea::MLS000534763::N-(2,3-di-2-furyl-6-quinoxalinyl)-N'-(3-hydroxypropyl)urea::SMR000142219::cid_2301472

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

InChI Key: InChIKey=GYDSTQXJLLEDBS-UHFFFAOYSA-N

Data: 8 IC50  1 EC50

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 9 hits for monomerid = 33077   
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
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.25E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.09E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.63E+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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.25E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 537n/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))
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 841n/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
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 507n/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/Q20P0XFH
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.41E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair