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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]' and Ligand = 'BDBM384427'   
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
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a


TBA

Assay Description
Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84G2S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a


TBA

Assay Description
Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1QJH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a


TBA

Assay Description
Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84G2S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a


TBA

Assay Description
Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1QJH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a


TBA

Assay Description
Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1QJH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384427
PNG
(US10590114, No. 122 | US11111235, Compound 122 | U...)
Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a


TBA

Assay Description
Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84G2S
More data for this
Ligand-Target Pair