BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.4
BDBM463449

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463449
PNG
(3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...)
Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)


BindingDB Entry DOI: 10.7270/Q2DR2ZKW
More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463449
PNG
(3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...)
Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)


BindingDB Entry DOI: 10.7270/Q2DR2ZKW
More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463449
PNG
(3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...)
Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
One assay for purified hPASK activity utilizes the Kinase-Glo Luminescent Kinase Assay (Promega), which quantifies the amount of ATP remaining in sol...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D79FN2
More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase [879-1323]


(Homo sapiens (Human))
BDBM463449
PNG
(3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...)
Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D79FN2
More data for this
Ligand-Target Pair