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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S]' and Ligand = 'BDBM523034'   
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 [1-1200,1251-2527,G2019S]


(Homo sapiens (Human))
BDBM523034
PNG
(US11161854, Example 2.7-1 | US11161854, Example 2....)
Show SMILES CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |THB:4:24:27:29,(-4.92,1.29,;-3.89,.15,;-2.38,.47,;-1.9,1.93,;-.4,2.25,;.63,1.11,;.16,-.36,;-1.35,-.68,;1.19,-1.5,;2.72,-1.34,;3.35,-2.75,;2.2,-3.78,;2.2,-5.32,;.87,-6.09,;-.47,-5.32,;-.47,-3.78,;.87,-3.01,;-1.8,-6.09,;-3.32,-6.36,;-2.79,-4.91,;-3.78,-3.73,;-2.26,-3.46,;-1.27,-7.54,;-.75,-8.98,;.08,3.72,;-.9,4.84,;.59,5.2,;1.96,6,;1.49,4.04,;2.93,3.48,;.02,6.63,;-.56,8.06,;1.44,7.21,;-1.41,6.05,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4FC3
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S]


(Homo sapiens (Human))
BDBM523034
PNG
(US11161854, Example 2.7-1 | US11161854, Example 2....)
Show SMILES CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |THB:4:24:27:29,(-4.92,1.29,;-3.89,.15,;-2.38,.47,;-1.9,1.93,;-.4,2.25,;.63,1.11,;.16,-.36,;-1.35,-.68,;1.19,-1.5,;2.72,-1.34,;3.35,-2.75,;2.2,-3.78,;2.2,-5.32,;.87,-6.09,;-.47,-5.32,;-.47,-3.78,;.87,-3.01,;-1.8,-6.09,;-3.32,-6.36,;-2.79,-4.91,;-3.78,-3.73,;-2.26,-3.46,;-1.27,-7.54,;-.75,-8.98,;.08,3.72,;-.9,4.84,;.59,5.2,;1.96,6,;1.49,4.04,;2.93,3.48,;.02,6.63,;-.56,8.06,;1.44,7.21,;-1.41,6.05,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4FC3
More data for this
Ligand-Target Pair