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Compile Data Set for Download or QSAR

Found 337 hits with Last Name = 'nichols' and Initial = 'rj'   
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))
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|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603022
PNG
(CHEMBL5187271)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
PDB

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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
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|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603031
PNG
(CHEMBL5201248)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
PDB

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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603037
PNG
(CHEMBL5194735)
Show SMILES N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603036
PNG
(CHEMBL5207998)
Show SMILES Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
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|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603035
PNG
(CHEMBL5177346)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597160
PNG
(CHEMBL5177578)
Show SMILES Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
PDB

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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM596379
PNG
(US11596633, Compound C)
Show SMILES COc1nc(c(N)nc1N1CCC2(CO[C@@H](C)[C@H]2N)CC1)-c1cccc(Cl)c1Cl |r|
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n/an/a 1.29n/an/an/an/an/an/a


TBA

Assay Description
Objective: To demonstrate the inhibition of SHP2 activity with Compounds A, B, and C. Without wishing to be bound by theory, SHP is allosterically ac...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23T9N4W
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50546219
PNG
(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
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n/an/a 1.55n/an/an/an/an/an/a


TBA

Assay Description
Objective: To demonstrate the inhibition of SHP2 activity with Compounds A, B, and C. Without wishing to be bound by theory, SHP is allosterically ac...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23T9N4W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603021
PNG
(CHEMBL5170359)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccc(cc3C#N)C#N)cc12
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603028
PNG
(CHEMBL5182227)
Show SMILES N#Cc1ccc2[C@@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603017
PNG
(CHEMBL5206337)
Show SMILES Fc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM596328
PNG
(US11596633, Compound A)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
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n/an/a 2.19n/an/an/an/an/an/a


TBA

Assay Description
Objective: To demonstrate the inhibition of SHP2 activity with Compounds A, B, and C. Without wishing to be bound by theory, SHP is allosterically ac...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23T9N4W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597171
PNG
(CHEMBL5170238)
Show SMILES CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
PDB

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n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597182
PNG
(CHEMBL5181966)
Show SMILES Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccnc(C)c1
PDB

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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597161
PNG
(CHEMBL5173029)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccnc(c1)N1CCOCC1
PDB

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n/an/a 2.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603034
PNG
(CHEMBL5169946)
Show SMILES N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
PDB

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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603020
PNG
(CHEMBL5196967)
Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
PDB

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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597178
PNG
(CHEMBL5174380)
Show SMILES Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccncc1
PDB

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n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603005
PNG
(CHEMBL5176421)
Show SMILES N#Cc1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50602999
PNG
(CHEMBL5179734)
Show SMILES [O-][N+](=O)c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603032
PNG
(CHEMBL5171585)
Show SMILES Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597164
PNG
(CHEMBL5179102)
Show SMILES Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1cc(C)nc(C)c1
PDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603042
PNG
(CHEMBL5179131)
Show SMILES N#Cc1ccc2C(CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603040
PNG
(CHEMBL5208819)
Show SMILES Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@@H]3CCOc4cc(ccc34)C#N)cc12 |r|
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597177
PNG
(CHEMBL5172291)
Show SMILES Cc1[nH]nc(c1-c1cc(F)c(c(F)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
PDB

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n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603022
PNG
(CHEMBL5187271)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
PDB

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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603018
PNG
(CHEMBL5200822)
Show SMILES Fc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603043
PNG
(CHEMBL5179942)
Show SMILES N#Cc1ccc2C(CCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603013
PNG
(CHEMBL5174552)
Show SMILES Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603004
PNG
(CHEMBL5169393)
Show SMILES N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597172
PNG
(CHEMBL5187306)
Show SMILES CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c[nH]nc1-c1ccncc1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597166
PNG
(CHEMBL5198878)
Show SMILES Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50602997
PNG
(CHEMBL5182980)
Show SMILES [O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597158
PNG
(CHEMBL5185437)
Show SMILES Cc1cc(ccn1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
PDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597157
PNG
(CHEMBL5204372)
Show SMILES Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(C)c1
PDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603009
PNG
(CHEMBL5184816)
Show SMILES COc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603021
PNG
(CHEMBL5170359)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccc(cc3C#N)C#N)cc12
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597176
PNG
(CHEMBL5170225)
Show SMILES Cc1[nH]nc(c1-c1ccc(c(F)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
PDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603012
PNG
(CHEMBL5169734)
Show SMILES Cc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603008
PNG
(CHEMBL5182067)
Show SMILES N#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603035
PNG
(CHEMBL5177346)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603014
PNG
(CHEMBL5209350)
Show SMILES Cc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603037
PNG
(CHEMBL5194735)
Show SMILES N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50603038
PNG
(CHEMBL5198808)
Show SMILES N#Cc1ccc2[C@@H](CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114080
BindingDB Entry DOI: 10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597181
PNG
(CHEMBL5207639)
Show SMILES Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(F)c1F)-c1ccncc1 |(-3.96,4.16,;-4.73,2.83,;-6.27,2.83,;-6.75,1.36,;-5.5,.46,;-4.25,1.36,;-2.77,.96,;-2.37,-.53,;-.88,-.92,;.2,.16,;1.69,-.23,;2.09,-1.73,;3.58,-2.12,;4.66,-1.03,;4.26,.46,;2.78,.85,;5.35,1.55,;6.84,1.15,;5.75,3.04,;4.26,2.64,;-.2,1.65,;.89,2.74,;-1.68,2.05,;-2.08,3.54,;-5.5,-1.08,;-4.17,-1.85,;-4.17,-3.39,;-5.5,-4.16,;-6.83,-3.4,;-6.84,-1.86,)|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50597160
PNG
(CHEMBL5177578)
Show SMILES Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
PDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00116
BindingDB Entry DOI: 10.7270/Q2CR5ZDG
More data for this
Ligand-Target Pair
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