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SMILES: CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O

InChI Key: InChIKey=WBPJYDOVOKDDEU-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 4 hits for monomerid = 463503   
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
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463503
PNG
(2-(H-Imidazo[1,2-a]pyridin-6-yl)-3-(isopropyl(meth...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
Show InChI InChI=1S/C20H19N5O2/c1-12(2)24(3)19-18(14-5-7-17-21-8-9-25(17)11-14)22-15-6-4-13(20(26)27)10-16(15)23-19/h4-12H,1-3H3,(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))
BDBM463503
PNG
(2-(H-Imidazo[1,2-a]pyridin-6-yl)-3-(isopropyl(meth...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
Show InChI InChI=1S/C20H19N5O2/c1-12(2)24(3)19-18(14-5-7-17-21-8-9-25(17)11-14)22-15-6-4-13(20(26)27)10-16(15)23-19/h4-12H,1-3H3,(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
The aim of the FRET assay is to determine the inhibition potential of test compounds on targeted kinase. This assay platform provides a homogenous sc...


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))
BDBM463503
PNG
(2-(H-Imidazo[1,2-a]pyridin-6-yl)-3-(isopropyl(meth...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
Show InChI InChI=1S/C20H19N5O2/c1-12(2)24(3)19-18(14-5-7-17-21-8-9-25(17)11-14)22-15-6-4-13(20(26)27)10-16(15)23-19/h4-12H,1-3H3,(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
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463503
PNG
(2-(H-Imidazo[1,2-a]pyridin-6-yl)-3-(isopropyl(meth...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
Show InChI InChI=1S/C20H19N5O2/c1-12(2)24(3)19-18(14-5-7-17-21-8-9-25(17)11-14)22-15-6-4-13(20(26)27)10-16(15)23-19/h4-12H,1-3H3,(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
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)


BindingDB Entry DOI: 10.7270/Q2DR2ZKW
More data for this
Ligand-Target Pair