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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ULK1' and Ligand = 'BDBM50111572'   
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))
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 2.90n/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))
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 45n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged ULK1 (unknown origin) after 5 mins in presence of gamma-[32]P-ATP by immunoblot analysis


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))
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Bioorg Med Chem 23: 5483-8 (2015)


Article DOI: 10.1016/j.bmc.2015.07.034
BindingDB Entry DOI: 10.7270/Q2CN75P8
More data for this
Ligand-Target Pair