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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ULK1' and Ligand = 'BDBM379177'   
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 ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a 108n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ULK1 (unknown origin) by 32P-ATP radio active assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112782
BindingDB Entry DOI: 10.7270/Q2PZ5DH2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a 108n/an/an/an/an/an/a



Sichuan Universitt China Hospital

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged ULK1 (unknown origin)


J Med Chem 61: 6491-6500 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01684
BindingDB Entry DOI: 10.7270/Q2DN47KX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a 108n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged ULK1 (unknown origin) expressed in HEK293T cells using GST-labelled Atg101 as substrate in presence of gamma-[32]P-ATP


J Med Chem 61: 4656-4687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01019
BindingDB Entry DOI: 10.7270/Q2RR22GW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a 108n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a 130n/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))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a<200n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
Gamma-32P assays to measure ULK1 kinase activity were performed as previously described. Briefly, Flag ULK1 was transfected into HEK293T cells and 20...


Bioorg Med Chem 16: 4963-83 (2008)


BindingDB Entry DOI: 10.7270/Q2N30084
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a<200n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
Gamma-32P assays to measure ULK1 kinase activity were performed as previously described. Briefly, Flag ULK1 was transfected into HEK293T cells and 20...


Bioorg Med Chem 16: 4963-83 (2008)


BindingDB Entry DOI: 10.7270/Q2N30084
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a<200n/an/an/an/an/an/a



SALK INSTITUTE FOR BIOLOGICAL STUDIES; SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; YALE UNIVERSITY

US Patent


Assay Description
ULK1 inhibition assay is a screening assay to identify compounds that inhibit kinase activity of ULK1 using the ULKtide peptide. In some embodiments,...


US Patent US10774092 (2020)


BindingDB Entry DOI: 10.7270/Q24F1TTD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379177
PNG
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)
Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br
Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
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n/an/a 785n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ULK1 (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

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