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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'layng' and Initial = 'f'   
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
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583973
PNG
(CHEMBL5093114)
Show SMILES Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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89n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM185556
PNG
(US9156845, 215)
Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21)
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96n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM185556
PNG
(US9156845, 215)
Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21)
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150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583973
PNG
(CHEMBL5093114)
Show SMILES Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
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211n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM185456
PNG
(US9156845, 107)
Show SMILES Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O/c1-12-3-2-4-13(9-12)14-10-18-16-15(14)17(20-11-19-16)21-5-7-22-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583991
PNG
(CHEMBL5092052)
Show SMILES CC(CO)CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583979
PNG
(CHEMBL5082941)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
PDB

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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM185556
PNG
(US9156845, 215)
Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21)
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583991
PNG
(CHEMBL5092052)
Show SMILES CC(CO)CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM185442
PNG
(US9156845, 91)
Show SMILES Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15FN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583973
PNG
(CHEMBL5093114)
Show SMILES Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
PDB

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n/an/a 66n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583988
PNG
(CHEMBL5076098)
Show SMILES CN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583980
PNG
(CHEMBL5089132)
Show SMILES OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583985
PNG
(CHEMBL5087454)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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n/an/a 81n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human LRRK2 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583976
PNG
(CHEMBL5078447)
Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3cccs3)c12
PDB

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n/an/a 91n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583990
PNG
(CHEMBL5093841)
Show SMILES OCCCNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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n/an/a 94n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583988
PNG
(CHEMBL5076098)
Show SMILES CN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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n/an/a 117n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583973
PNG
(CHEMBL5093114)
Show SMILES Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
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TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM185456
PNG
(US9156845, 107)
Show SMILES Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O/c1-12-3-2-4-13(9-12)14-10-18-16-15(14)17(20-11-19-16)21-5-7-22-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50583973
PNG
(CHEMBL5093114)
Show SMILES Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
PDB

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n/an/a 121n/an/an/an/an/an/a


TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human LRRK2 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK4 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM185456
PNG
(US9156845, 107)
Show SMILES Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O/c1-12-3-2-4-13(9-12)14-10-18-16-15(14)17(20-11-19-16)21-5-7-22-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human LRRK2 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583980
PNG
(CHEMBL5089132)
Show SMILES OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM185450
PNG
(US9156845, 101)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-14-5-3-2-4-12(14)13-10-18-16-15(13)17(20-11-19-16)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
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TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
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TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK3 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583986
PNG
(CHEMBL5076995)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(NCC3CC3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583977
PNG
(CHEMBL5093387)
Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccco3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583982
PNG
(CHEMBL5087568)
Show SMILES CC1(O)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583983
PNG
(CHEMBL5071164)
Show SMILES CNC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 154n/an/an/an/an/an/a


TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK4 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583981
PNG
(CHEMBL5092612)
Show SMILES CC1(N)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583979
PNG
(CHEMBL5082941)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
PDB
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Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583989
PNG
(CHEMBL5075232)
Show SMILES CCN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583990
PNG
(CHEMBL5093841)
Show SMILES OCCCNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50059347
PNG
(CHEMBL3393353 | US9156845, 93)
Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)
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n/an/a 183n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583982
PNG
(CHEMBL5087568)
Show SMILES CC1(O)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM185442
PNG
(US9156845, 91)
Show SMILES Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15FN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583973
PNG
(CHEMBL5093114)
Show SMILES Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
PDB

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n/an/a 192n/an/an/an/an/an/a


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Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK4 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK3 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50059347
PNG
(CHEMBL3393353 | US9156845, 93)
Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583987
PNG
(CHEMBL5074489)
Show SMILES CCCN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583986
PNG
(CHEMBL5076995)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(NCC3CC3)c12
PDB
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583987
PNG
(CHEMBL5074489)
Show SMILES CCCN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
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Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
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