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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'xiong' and Initial = 't'   
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


(Homo sapiens (Human))
BDBM50584324
PNG
(CHEMBL5088471)
Show SMILES Clc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
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n/an/a<0.0800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609728
PNG
(CHEMBL5267350)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
PDB

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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609742
PNG
(CHEMBL5286106)
Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

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UniProtKB/SwissProt

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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609742
PNG
(CHEMBL5286106)
Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

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UniProtKB/SwissProt

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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609741
PNG
(CHEMBL5284341)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

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UniProtKB/SwissProt

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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM257207
PNG
(US9493440, 51)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
PDB

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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584328
PNG
(CHEMBL5078277 | US20230303540, Example Ex-1.48)
Show SMILES C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1 |r|
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584317
PNG
(CHEMBL5082260)
Show SMILES FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2F)C2COC2)c1Cl
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584318
PNG
(CHEMBL5082563)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584332
PNG
(CHEMBL5076397)
Show SMILES O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
PDB

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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584316
PNG
(CHEMBL5070231)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1COC1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584321
PNG
(CHEMBL5090739)
Show SMILES Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584331
PNG
(CHEMBL5079796)
Show SMILES FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584330
PNG
(CHEMBL5070497)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1CCOC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584325
PNG
(CHEMBL5085777)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584322
PNG
(CHEMBL5089102)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a 0.650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584326
PNG
(CHEMBL5094138)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)C2(CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609741
PNG
(CHEMBL5284341)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

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UniProtKB/SwissProt

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UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584320
PNG
(CHEMBL5073571)
Show SMILES CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)c1Cl
PDB

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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609742
PNG
(CHEMBL5286106)
Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

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n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584329
PNG
(CHEMBL5089933)
Show SMILES Cc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1
PDB

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM257207
PNG
(US9493440, 51)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
PDB

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PDB
n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584327
PNG
(CHEMBL5073735)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)-c2ccn[nH]2)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609738
PNG
(CHEMBL5267690)
Show SMILES C[C@H]1CC1(C#N)c1ccc2cnn(-c3cc(ncn3)N3CC4(CC3C4)C(C)(C)O)c2c1 |r,wU:1.0,(-3.54,-1.2,;-4.87,-.43,;-6.42,-.43,;-5.64,.91,;-6.98,1.68,;-8.31,2.45,;-4.31,1.68,;-4.31,3.23,;-2.98,4,;-1.65,3.23,;-.18,3.7,;.72,2.46,;-.18,1.21,;.22,-.28,;1.7,-.68,;2.1,-2.16,;1.01,-3.25,;-.47,-2.86,;-.88,-1.37,;3.59,-2.56,;4.78,-1.59,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;6.77,-1.06,;6.77,.49,;5.44,-.29,;8.31,-.98,;-1.65,1.69,;-2.97,.92,)|
PDB

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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609738
PNG
(CHEMBL5267690)
Show SMILES C[C@H]1CC1(C#N)c1ccc2cnn(-c3cc(ncn3)N3CC4(CC3C4)C(C)(C)O)c2c1 |r,wU:1.0,(-3.54,-1.2,;-4.87,-.43,;-6.42,-.43,;-5.64,.91,;-6.98,1.68,;-8.31,2.45,;-4.31,1.68,;-4.31,3.23,;-2.98,4,;-1.65,3.23,;-.18,3.7,;.72,2.46,;-.18,1.21,;.22,-.28,;1.7,-.68,;2.1,-2.16,;1.01,-3.25,;-.47,-2.86,;-.88,-1.37,;3.59,-2.56,;4.78,-1.59,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;6.77,-1.06,;6.77,.49,;5.44,-.29,;8.31,-.98,;-1.65,1.69,;-2.97,.92,)|
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n/an/a 2n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584319
PNG
(CHEMBL5085536 | US20230303540, Example Ex-1.24)
Show SMILES Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)cnn1C1CC1
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609729
PNG
(CHEMBL5290520)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncn2ccc(cc12)-c1cnn(C)c1 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609734
PNG
(CHEMBL5279615)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |(8.37,-.94,;7.28,-2.03,;6.88,-.54,;8.37,-3.12,;5.79,-2.43,;5.39,-3.92,;3.85,-4,;4.42,-2.54,;3.3,-2.56,;4.5,-1.59,;1.81,-2.16,;1.42,-.68,;-.07,-.28,;-1.16,-1.37,;-.76,-2.86,;.72,-3.25,;-.47,1.21,;.44,2.46,;-.47,3.7,;-1.93,3.23,;-3.26,4,;-4.6,3.23,;-4.6,1.68,;-3.26,.92,;-1.93,1.69,;-5.93,.91,;-7.34,1.54,;-8.37,.39,;-7.6,-.94,;-6.09,-.62,)|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609728
PNG
(CHEMBL5267350)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
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n/an/a 4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609733
PNG
(CHEMBL5282583)
Show SMILES CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
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n/an/a 6n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609731
PNG
(CHEMBL5283154)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
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n/an/a 14n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609737
PNG
(CHEMBL5266092)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.88,-.43,;-6.98,1.68,;-8.31,2.45,)|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584333
PNG
(CHEMBL5093254)
Show SMILES C1CC1c1cccc2cnc(Nc3cnn(c3)C3CCOCC3)nc12
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609733
PNG
(CHEMBL5282583)
Show SMILES CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
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n/an/a 18n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609734
PNG
(CHEMBL5279615)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |(8.37,-.94,;7.28,-2.03,;6.88,-.54,;8.37,-3.12,;5.79,-2.43,;5.39,-3.92,;3.85,-4,;4.42,-2.54,;3.3,-2.56,;4.5,-1.59,;1.81,-2.16,;1.42,-.68,;-.07,-.28,;-1.16,-1.37,;-.76,-2.86,;.72,-3.25,;-.47,1.21,;.44,2.46,;-.47,3.7,;-1.93,3.23,;-3.26,4,;-4.6,3.23,;-4.6,1.68,;-3.26,.92,;-1.93,1.69,;-5.93,.91,;-7.34,1.54,;-8.37,.39,;-7.6,-.94,;-6.09,-.62,)|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609732
PNG
(CHEMBL5276834)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
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n/an/a 21n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609729
PNG
(CHEMBL5290520)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncn2ccc(cc12)-c1cnn(C)c1 |r|
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n/an/a 22n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609731
PNG
(CHEMBL5283154)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
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n/an/a 24n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609734
PNG
(CHEMBL5279615)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |(8.37,-.94,;7.28,-2.03,;6.88,-.54,;8.37,-3.12,;5.79,-2.43,;5.39,-3.92,;3.85,-4,;4.42,-2.54,;3.3,-2.56,;4.5,-1.59,;1.81,-2.16,;1.42,-.68,;-.07,-.28,;-1.16,-1.37,;-.76,-2.86,;.72,-3.25,;-.47,1.21,;.44,2.46,;-.47,3.7,;-1.93,3.23,;-3.26,4,;-4.6,3.23,;-4.6,1.68,;-3.26,.92,;-1.93,1.69,;-5.93,.91,;-7.34,1.54,;-8.37,.39,;-7.6,-.94,;-6.09,-.62,)|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609737
PNG
(CHEMBL5266092)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.88,-.43,;-6.98,1.68,;-8.31,2.45,)|
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n/an/a 30n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609739
PNG
(CHEMBL5266616)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1(C)C)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609732
PNG
(CHEMBL5276834)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM488343
PNG
(US10954240, Example 47)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-n1ncc2ccc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H24N6O/c1-15-12-27(13-16(2)29-15)22-9-20(6-7-23-22)28-21-8-17(4-5-18(21)10-25-28)19-11-24-26(3)14-19/h4-11,14-16H,12-13H2,1-3H3/t15-,16+
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM488343
PNG
(US10954240, Example 47)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-n1ncc2ccc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H24N6O/c1-15-12-27(13-16(2)29-15)22-9-20(6-7-23-22)28-21-8-17(4-5-18(21)10-25-28)19-11-24-26(3)14-19/h4-11,14-16H,12-13H2,1-3H3/t15-,16+
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609730
PNG
(CHEMBL5268380)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncc2ccc(cn12)-c1cnn(C)c1 |r|
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n/an/a 161n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609735
PNG
(CHEMBL5275913)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(CC3(CCC3)C#N)cc12 |r|
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n/an/a 275n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609740
PNG
(CHEMBL5285084)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C(C)(C#N)C1CC1 |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-6.98,1.68,;-8.31,2.45,;-4.87,-.43,;-4.88,-1.97,;-3.54,-1.2,)|
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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584335
PNG
(CHEMBL5076674)
Show SMILES F[C@@H]1CNCC[C@H]1c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
PDB
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TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609739
PNG
(CHEMBL5266616)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1(C)C)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
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Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609736
PNG
(CHEMBL5278535)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(CCC#N)cc12 |r|
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PC cid
PC sid
UniChem
n/an/a 990n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
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