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Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'cosford' and Initial = 'ndp'   
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 ULK1


(Homo sapiens (Human))
BDBM379404
PNG
(6-((4-(cyclopropylamino)-5-(trifluoromethyl)pyrimi...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3C(=O)CCCc3c2)nc1NC1CC1
Show InChI InChI=1S/C18H17F3N4O/c19-18(20,21)14-9-22-17(25-16(14)23-11-4-5-11)24-12-6-7-13-10(8-12)2-1-3-15(13)26/h6-9,11H,1-5H2,(H2,22,23,24,25)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379381
PNG
(N4-cyclopropyl-N2-(quinolin-6-yl)-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1
Show InChI InChI=1S/C17H14F3N5/c18-17(19,20)13-9-22-16(25-15(13)23-11-3-4-11)24-12-5-6-14-10(8-12)2-1-7-21-14/h1-2,5-9,11H,3-4H2,(H2,22,23,24,25)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379329
PNG
(N2-(1H-benzo[d]imidazol-6-yl)-N4-cyclopropyl-5-(tr...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)10-6-19-14(24-13(10)22-8-1-2-8)23-9-3-4-11-12(5-9)21-7-20-11/h3-8H,1-2H2,(H,20,21)(H2,19,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50299534
PNG
(5-Bromo-2-methoxy-N-(quinolin-3-yl)benzenesulfonam...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C16H13BrN2O3S/c1-22-15-7-6-12(17)9-16(15)23(20,21)19-13-8-11-4-2-3-5-14(11)18-10-13/h2-10,19H,1H3
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n/an/a 6n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379305
PNG
(N2-(1H-benzo[d][1,2,3]triazol-6-yl)-N4-cyclopropyl...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nn[nH]c3c2)nc1NC1CC1
Show InChI InChI=1S/C14H12F3N7/c15-14(16,17)9-6-18-13(21-12(9)19-7-1-2-7)20-8-3-4-10-11(5-8)23-24-22-10/h3-7H,1-2H2,(H,22,23,24)(H2,18,19,20,21)
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46004
PNG
(5-chloranyl-2-methoxy-N-quinolin-3-yl-benzenesulfo...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C16H13ClN2O3S/c1-22-15-7-6-12(17)9-16(15)23(20,21)19-13-8-11-4-2-3-5-14(11)18-10-13/h2-10,19H,1H3
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n/an/a 6n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379307
PNG
(N4-cyclopropyl-N2-(3,4-dihydro-2H-benzo[b][1,4]dio...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OCCCOc3c2)nc1NC1CC1
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)12-9-21-16(24-15(12)22-10-2-3-10)23-11-4-5-13-14(8-11)26-7-1-6-25-13/h4-5,8-10H,1-3,6-7H2,(H2,21,22,23,24)
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379450
PNG
(US10266549, Example 349 | US10774092, Example 349)
Show SMILES COc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379414
PNG
(N-(4-((4-(cyclopropylamino)-5-(trifluoromethyl)pyr...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(NC(=O)C3CC3)cc2)nc1NC1CC1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)14-9-22-17(26-15(14)23-11-3-4-11)25-13-7-5-12(6-8-13)24-16(27)10-1-2-10/h5-11H,1-4H2,(H,24,27)(H2,22,23,25,26)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379408
PNG
(N4-cyclopropyl-N2-(quinoxalin-6-yl)-5-(trifluorome...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
Show InChI InChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379311
PNG
(N4-cyclopropyl-N2-(1H-indazol-5-yl)-5-(trifluorome...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)11-7-19-14(23-13(11)21-9-1-2-9)22-10-3-4-12-8(5-10)6-20-24-12/h3-7,9H,1-2H2,(H,20,24)(H2,19,21,22,23)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379352
PNG
(N4-cyclopropyl-N2-(5-methoxypyridin-3-yl)-5-(trifl...)
Show SMILES COc1cncc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)c1
Show InChI InChI=1S/C14H14F3N5O/c1-23-10-4-9(5-18-6-10)21-13-19-7-11(14(15,16)17)12(22-13)20-8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379259
PNG
(US10266549, Example 158a | US10774092, Example 158...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OCCOc3c2)nc1NC1CC1
Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)11-8-20-15(23-14(11)21-9-1-2-9)22-10-3-4-12-13(7-10)25-6-5-24-12/h3-4,7-9H,1-2,5-6H2,(H2,20,21,22,23)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50454037
PNG
(CHEMBL4214913)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O
Show InChI InChI=1S/C13H12BrN3O4S/c1-21-11-3-2-9(14)5-12(11)22(19,20)17-10-4-8(13(15)18)6-16-7-10/h2-7,17H,1H3,(H2,15,18)
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n/an/a 14n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50299523
PNG
(2,5-Dimethoxy-N-(quinolin-3-yl)benzenesulfonamide ...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379387
PNG
(N4-cyclopropyl-N2-(quinolin-3-yl)-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc3ccccc3c2)nc1NC1CC1
Show InChI InChI=1S/C17H14F3N5/c18-17(19,20)13-9-22-16(25-15(13)23-11-5-6-11)24-12-7-10-3-1-2-4-14(10)21-8-12/h1-4,7-9,11H,5-6H2,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM409855
PNG
(US10370333, Example IV-26)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O
Show InChI InChI=1S/C13H12ClN3O4S/c1-21-11-3-2-9(14)5-12(11)22(19,20)17-10-4-8(13(15)18)6-16-7-10/h2-7,17H,1H3,(H2,15,18)
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Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379264
PNG
(US10266549, Example 161a | US10774092, Example 161...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CCC1
Show InChI InChI=1S/C16H15F3N6/c17-16(18,19)12-8-22-15(25-14(12)23-10-2-1-3-10)24-11-6-9-4-5-20-13(9)21-7-11/h4-8,10H,1-3H2,(H,20,21)(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM409953
PNG
(US10370333, Example XIII-5)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O
Show InChI InChI=1S/C13H12FN3O4S/c1-21-11-3-2-9(14)5-12(11)22(19,20)17-10-4-8(13(15)18)6-16-7-10/h2-7,17H,1H3,(H2,15,18)
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Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379325
PNG
(US10266549, Example 208a | US10774092, Example 208...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3ncoc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H12F3N5O/c16-15(17,18)10-6-19-14(23-13(10)21-8-1-2-8)22-9-3-4-11-12(5-9)24-7-20-11/h3-8H,1-2H2,(H2,19,21,22,23)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379406
PNG
(US10266549, Example 304a | US10774092, Example 304...)
Show SMILES Nc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H14F3N5/c15-14(16,17)11-7-19-13(22-12(11)20-9-5-6-9)21-10-3-1-8(18)2-4-10/h1-4,7,9H,5-6,18H2,(H2,19,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379332
PNG
(N2-(benzo[d][1,3]dioxol-5-yl)-N4-cyclopropyl-5-(tr...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OCOc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)10-6-19-14(22-13(10)20-8-1-2-8)21-9-3-4-11-12(5-9)24-7-23-11/h3-6,8H,1-2,7H2,(H2,19,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379323
PNG
(N4-cyclopropyl-N2-(1H-indol-5-yl)-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1
Show InChI InChI=1S/C16H14F3N5/c17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13/h3-8,10,20H,1-2H2,(H2,21,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM409788
PNG
(US10370333, Example III-3 | US10370333, Example XI...)
Show SMILES COc1ccc(cc1)-c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1
Show InChI InChI=1S/C19H17ClN2O4S/c1-25-17-6-3-13(4-7-17)14-9-16(12-21-11-14)22-27(23,24)19-10-15(20)5-8-18(19)26-2/h3-12,22H,1-2H3
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Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM409779
PNG
(US10370333, Example II-2)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cnc2ccccc2c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O3S/c1-25-15-7-6-12(17(18,19)20)9-16(15)26(23,24)22-13-8-11-4-2-3-5-14(11)21-10-13/h2-10,22H,1H3
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Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
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
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 ULK1


(Homo sapiens (Human))
BDBM379252
PNG
(US10266549, Example 152a | US10774092, Example 152...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)11-7-21-14(24-13(11)22-9-1-2-9)23-10-5-8-3-4-19-12(8)20-6-10/h3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379413
PNG
(N-(cyclopropanecarbonyl)-N-(4-((4-(cyclopropylamin...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)N(C(=O)C2CC2)C(=O)C2CC2)nc1NC1CC1
Show InChI InChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-21(29-18(17)27-14-5-6-14)28-15-7-9-16(10-8-15)30(19(31)12-1-2-12)20(32)13-3-4-13/h7-14H,1-6H2,(H2,26,27,28,29)
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Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379445
PNG
(N4-cyclopropyl-N2-(4-ethyl-3,4-dihydro-2H-pyrido[3...)
Show SMILES CCN1CCOc2cc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cnc12
Show InChI InChI=1S/C17H19F3N6O/c1-2-26-5-6-27-13-7-11(8-21-15(13)26)24-16-22-9-12(17(18,19)20)14(25-16)23-10-3-4-10/h7-10H,2-6H2,1H3,(H2,22,23,24,25)
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Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379295
PNG
(US10266549, Example 182a | US10774092, Example 182...)
Show SMILES CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F
Show InChI InChI=1S/C13H11F3N6/c1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h2-6H,1H3,(H,18,19)(H2,17,20,21,22)
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Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
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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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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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 3


(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
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50454045
PNG
(CHEMBL4216295)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cnc2ccccc2c1)C#N
Show InChI InChI=1S/C17H13N3O3S/c1-23-16-7-6-12(10-18)8-17(16)24(21,22)20-14-9-13-4-2-3-5-15(13)19-11-14/h2-9,11,20H,1H3
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Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
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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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 ULK1


(Homo sapiens (Human))
BDBM379343
PNG
(US10266549, Example 221a | US10774092, Example 221...)
Show SMILES FC(F)(F)c1cnc(Nc2ccnnc2)nc1NC1CC1
Show InChI InChI=1S/C12H11F3N6/c13-12(14,15)9-6-16-11(20-8-3-4-17-18-5-8)21-10(9)19-7-1-2-7/h3-7H,1-2H2,(H2,16,17,19,20,21)
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Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379376
PNG
(N4-cyclopropyl-N2-(2,2-difluorobenzo[d][1,3]dioxol...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OC(F)(F)Oc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H11F5N4O2/c16-14(17,18)9-6-21-13(24-12(9)22-7-1-2-7)23-8-3-4-10-11(5-8)26-15(19,20)25-10/h3-7H,1-2H2,(H2,21,22,23,24)
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Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM45881
PNG
(5-bromanyl-2-methoxy-N-pyridin-3-yl-benzenesulfona...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1
Show InChI InChI=1S/C12H11BrN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
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n/an/a 43n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
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
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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 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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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 ULK1


(Homo sapiens (Human))
BDBM379374
PNG
(2-((4-(cyclopropylamino)-5-(trifluoromethyl)pyrimi...)
Show SMILES Oc1ccccc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O/c15-14(16,17)9-7-18-13(21-12(9)19-8-5-6-8)20-10-3-1-2-4-11(10)22/h1-4,7-8,22H,5-6H2,(H2,18,19,20,21)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
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
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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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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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50454039
PNG
(CHEMBL4206067)
Show SMILES COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1
Show InChI InChI=1S/C14H13ClN2O5S/c1-21-12-4-3-10(15)6-13(12)23(19,20)17-11-5-9(7-16-8-11)14(18)22-2/h3-8,17H,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
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