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Compile Data Set for Download or QSAR

Found 1014 hits with Last Name = 'zuercher' and Initial = 'wj'   
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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546116
PNG
(CHEMBL4797973)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(ccc2c1)-c1ccncc1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to GAK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524284
PNG
(CHEMBL4443342)
Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)
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3.10n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay


J Med Chem 62: 2830-2836 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01213
BindingDB Entry DOI: 10.7270/Q28919C7
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577328
PNG
(CHEMBL4875188)
Show SMILES COc1ccccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:9|
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3.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537138
PNG
(CHEMBL4531690)
Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3
Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)
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3.80n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay


J Med Chem 62: 2830-2836 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01213
BindingDB Entry DOI: 10.7270/Q28919C7
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577368
PNG
(CHEMBL4878325)
Show SMILES COc1cc(Br)ccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:10|
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3.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577340
PNG
(CHEMBL4877889)
Show SMILES COc1ccccc1C1=C(Nc2cccc3ccccc23)C(=O)NC1=O |c:9|
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511373
PNG
(CHEMBL4571548)
Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)
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6.20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511385
PNG
(CHEMBL4534959)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)
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6.30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM8226
PNG
(3-[(3-chlorophenyl)amino]-4-(2-methoxyphenyl)-2,5-...)
Show SMILES COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|
Show InChI InChI=1S/C17H13ClN2O3/c1-23-13-8-3-2-7-12(13)14-15(17(22)20-16(14)21)19-11-6-4-5-10(18)9-11/h2-9H,1H3,(H2,19,20,21,22)
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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511383
PNG
(CHEMBL4531680)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)
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8.20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511376
PNG
(CHEMBL4516665)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1
Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)
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8.30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511400
PNG
(CHEMBL4535040)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)
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8.5n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM8244
PNG
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-methoxyph...)
Show SMILES COc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O |c:9|
Show InChI InChI=1S/C17H13ClN2O4/c1-24-13-5-3-2-4-10(13)14-15(17(23)20-16(14)22)19-9-6-7-12(21)11(18)8-9/h2-8,21H,1H3,(H2,19,20,22,23)
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8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511397
PNG
(CHEMBL4452939)
Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)
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9.10n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577369
PNG
(CHEMBL4856751)
Show SMILES COc1ccc(Br)cc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:10|
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9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511380
PNG
(CHEMBL4452360)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)
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10n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511394
PNG
(CHEMBL4552310)
Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)
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12n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511376
PNG
(CHEMBL4516665)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1
Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)
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13n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577318
PNG
(CHEMBL4855513)
Show SMILES COc1ccccc1C1=C(Nc2cccc(F)c2)C(=O)NC1=O |c:9|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577338
PNG
(CHEMBL4869745)
Show SMILES COc1ccccc1C1=C(Nc2ccc3OCOc3c2)C(=O)NC1=O |c:9|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM8243
PNG
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-chlorophe...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl |t:6|
Show InChI InChI=1S/C16H10Cl2N2O3/c17-10-4-2-1-3-9(10)13-14(16(23)20-15(13)22)19-8-5-6-12(21)11(18)7-8/h1-7,21H,(H2,19,20,22,23)
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511397
PNG
(CHEMBL4452939)
Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)
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17n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577308
PNG
(CHEMBL4857159)
Show SMILES COc1ccccc1C1=C(Nc2cccc(SC)c2)C(=O)NC1=O |c:9|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511400
PNG
(CHEMBL4535040)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)
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17n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511373
PNG
(CHEMBL4571548)
Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)
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17n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577350
PNG
(CHEMBL4868821)
Show SMILES COc1ccccc1C1=C(Nc2ccc3ncccc3c2)C(=O)NC1=O |c:9|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511385
PNG
(CHEMBL4534959)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)
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17n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577366
PNG
(CHEMBL4867952)
Show SMILES COc1cc(NC(=O)C(C)C)ccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:15|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511380
PNG
(CHEMBL4452360)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)
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19n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511378
PNG
(CHEMBL4470026)
Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)
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20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511383
PNG
(CHEMBL4531680)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)
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20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM8275
PNG
(3-(2-methoxyphenyl)-4-{[4-(methylsulfanyl)phenyl]a...)
Show SMILES COc1ccccc1C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|
Show InChI InChI=1S/C18H16N2O3S/c1-23-14-6-4-3-5-13(14)15-16(18(22)20-17(15)21)19-11-7-9-12(24-2)10-8-11/h3-10H,1-2H3,(H2,19,20,21,22)
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577334
PNG
(CHEMBL4852101)
Show SMILES COc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2OC)cc1 |t:7|
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511395
PNG
(CHEMBL4473140)
Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)
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22n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511399
PNG
(CHEMBL4542463)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(CNS(=O)(=O)CC2CC2)c1)C1CC1
Show InChI InChI=1S/C22H24N4O3S/c27-22(16-6-7-16)24-21-19-9-8-18(11-20(19)25-26-21)17-3-1-2-15(10-17)12-23-30(28,29)13-14-4-5-14/h1-3,8-11,14,16,23H,4-7,12-13H2,(H2,24,25,26,27)
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22n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511375
PNG
(CHEMBL4593649)
Show SMILES Fc1cccc(CS(=O)(=O)Nc2cccc(c2)-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
Show InChI InChI=1S/C24H21FN4O3S/c25-19-5-1-3-15(11-19)14-33(31,32)29-20-6-2-4-17(12-20)18-9-10-21-22(13-18)27-28-23(21)26-24(30)16-7-8-16/h1-6,9-13,16,29H,7-8,14H2,(H2,26,27,28,30)
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24n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577341
PNG
(CHEMBL4851482)
Show SMILES COc1ccccc1C1=C(Nc2ccc(cc2)-c2ccccc2)C(=O)NC1=O |c:9|
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 10


(Homo sapiens (Human))
BDBM50577328
PNG
(CHEMBL4875188)
Show SMILES COc1ccccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:9|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human STK10 by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511379
PNG
(CHEMBL4447403)
Show SMILES FC(F)(F)CCS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H21F3N4O3S/c22-21(23,24)8-9-32(30,31)25-12-13-2-1-3-15(10-13)16-6-7-17-18(11-16)27-28-19(17)26-20(29)14-4-5-14/h1-3,6-7,10-11,14,25H,4-5,8-9,12H2,(H2,26,27,28,29)
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27n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM8225
PNG
(3-(2-chlorophenyl)-4-[(3-chlorophenyl)amino]-2,5-d...)
Show SMILES Clc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:7|
Show InChI InChI=1S/C16H10Cl2N2O2/c17-9-4-3-5-10(8-9)19-14-13(15(21)20-16(14)22)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20,21,22)
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577331
PNG
(CHEMBL4877101)
Show SMILES O=C1NC(=O)C(=C1Nc1cccc(c1)C#N)c1cccc2ccccc12 |c:5|
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577333
PNG
(CHEMBL4847820)
Show SMILES COc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2OC)c1 |t:8|
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577365
PNG
(CHEMBL4845800)
Show SMILES COc1cc(ccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O)-c1ccc(Cl)nc1Cl |c:9|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511394
PNG
(CHEMBL4552310)
Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)
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30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511374
PNG
(CHEMBL4522276)
Show SMILES CC(C)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C22H26N4O3S/c1-14(2)13-30(28,29)23-12-15-4-3-5-17(10-15)18-8-9-19-20(11-18)25-26-21(19)24-22(27)16-6-7-16/h3-5,8-11,14,16,23H,6-7,12-13H2,1-2H3,(H2,24,25,26,27)
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30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511379
PNG
(CHEMBL4447403)
Show SMILES FC(F)(F)CCS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H21F3N4O3S/c22-21(23,24)8-9-32(30,31)25-12-13-2-1-3-15(10-13)16-6-7-17-18(11-16)27-28-19(17)26-20(29)14-4-5-14/h1-3,6-7,10-11,14,25H,4-5,8-9,12H2,(H2,26,27,28,29)
PDB

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32n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577307
PNG
(CHEMBL4858023)
Show SMILES CSc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:8|
PDB
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511398
PNG
(CHEMBL4582326)
Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)
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33n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50511396
PNG
(CHEMBL4472438)
Show SMILES CCN(CC)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C22H27N5O3S/c1-3-27(4-2)31(29,30)23-14-15-6-5-7-17(12-15)18-10-11-19-20(13-18)25-26-21(19)24-22(28)16-8-9-16/h5-7,10-13,16,23H,3-4,8-9,14H2,1-2H3,(H2,24,25,26,28)
PDB

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33n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
STE20-like serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50577315
PNG
(CHEMBL160338)
Show SMILES COc1ccccc1C1=C(Nc2ccc(O)cc2)C(=O)NC1=O |c:9|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity human SLK by binding displacement assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01579
BindingDB Entry DOI: 10.7270/Q2ST7TPK
More data for this
Ligand-Target Pair
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