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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 463458   
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))
BDBM463458
PNG
(3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)
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))
BDBM463458
PNG
(3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)
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))
BDBM463458
PNG
(3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)
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))
BDBM463458
PNG
(3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)
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