BindingDB logo
myBDB logout

null

SMILES: CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12

InChI Key: InChIKey=DKOWSOMMUFZILP-UHFFFAOYSA-N

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 5 hits for monomerid = 44475   
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
Ephrin type-A receptor 4


(Mus musculus)
BDBM44475
PNG
(1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline | ...)
Show SMILES CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.11E+3n/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
Ephrin type-A receptor 4


(Mus musculus)
BDBM44475
PNG
(1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline | ...)
Show SMILES CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM44475
PNG
(1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline | ...)
Show SMILES CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.97E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)
BDBM44475
PNG
(1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline | ...)
Show SMILES CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.85E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM44475
PNG
(1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline | ...)
Show SMILES CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.94E+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