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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ULK1' and Ligand = 'BDBM50111577'   
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))
BDBM50111577
PNG
(CHEMBL3605055)
Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]cnc4c3)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/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
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM50111577
PNG
(CHEMBL3605055)
Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]cnc4c3)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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))
BDBM50111577
PNG
(CHEMBL3605055)
Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]cnc4c3)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 8n/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))
BDBM50111577
PNG
(CHEMBL3605055)
Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]cnc4c3)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sichuan Universitt China Hospital

Curated by ChEMBL


Assay Description
Inhibition of N-terminal SUMO-tagged ULK1 kinase domain (1 to 283 residues) (unknown origin) using MBP as substrate in presence of [32P]ATP after 15 ...


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