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Compile Data Set for Download or QSAR

Found 7 hits of ec50 for UniProtKB: O75385   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50271371
PNG
(CHEMBL4125718)
Show SMILES CC(C)CN(CC(C)C)CC(=O)N1CCN(CC(OCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3
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n/an/an/an/a 19n/an/an/an/a



Sichuan Universitt China Hospital

Curated by ChEMBL


Assay Description
Activation of recombinant human N-terminal GST-tagged ULK1 (1 to 649 residues) expressed in baculovirus infected Sf9 cells using MBP as substrate aft...


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))
BDBM50271371
PNG
(CHEMBL4125718)
Show SMILES CC(C)CN(CC(C)C)CC(=O)N1CCN(CC(OCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3
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n/an/an/an/a 19n/an/an/an/a


TBA

Assay Description
Antagonist potency against histamine H3 receptor in an electrically stimulated guinea pig ileum


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


(Homo sapiens (Human))
BDBM50271371
PNG
(CHEMBL4125718)
Show SMILES CC(C)CN(CC(C)C)CC(=O)N1CCN(CC(OCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3
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n/an/an/an/a 19n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ULK1 (unknown origin) using MBP as substrate after 60 mins by ADP-Glo assay


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))
BDBM50458503
PNG
(CHEMBL4204256)
Show SMILES Fc1ccc(F)c(NC(=O)[C@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)c1 |r|
Show InChI InChI=1S/C23H15F8N3OS/c24-15-6-7-17(25)18(11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32,34,36)/t19-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Induction of human recombinant N-terminal GST tagged-ULK1 (1 to 649 residues) kinase activity expressed in baculovirus infected insect Sf9 cells usin...


J Med Chem 61: 2776-2792 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01575
BindingDB Entry DOI: 10.7270/Q2C82CX6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM50458506
PNG
(CHEMBL4210617)
Show SMILES Fc1ccc(CCN[C@@H](C(=O)Nc2ccc(F)cc2F)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H19F3N2O/c23-17-8-6-15(7-9-17)12-13-26-21(16-4-2-1-3-5-16)22(28)27-20-11-10-18(24)14-19(20)25/h1-11,14,21,26H,12-13H2,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Induction of human recombinant N-terminal GST tagged-ULK1 (1 to 649 residues) kinase activity expressed in baculovirus infected insect Sf9 cells usin...


J Med Chem 61: 2776-2792 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01575
BindingDB Entry DOI: 10.7270/Q2C82CX6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM50458504
PNG
(CHEMBL4208925)
Show SMILES CN1CCN(CC(OC(=O)c2ccc3OCOc3c2)c2ccccc2)CC1
Show InChI InChI=1S/C21H24N2O4/c1-22-9-11-23(12-10-22)14-20(16-5-3-2-4-6-16)27-21(24)17-7-8-18-19(13-17)26-15-25-18/h2-8,13,20H,9-12,14-15H2,1H3
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n/an/an/an/a 55n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Induction of human recombinant N-terminal GST tagged-ULK1 (1 to 649 residues) kinase activity expressed in baculovirus infected insect Sf9 cells usin...


J Med Chem 61: 2776-2792 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01575
BindingDB Entry DOI: 10.7270/Q2C82CX6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM50458505
PNG
(CHEBI:82877 | CHEMBL1232474)
Show SMILES Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
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n/an/an/an/a 263n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Induction of human recombinant N-terminal GST tagged-ULK1 (1 to 649 residues) kinase activity expressed in baculovirus infected insect Sf9 cells usin...


J Med Chem 61: 2776-2792 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01575
BindingDB Entry DOI: 10.7270/Q2C82CX6
More data for this
Ligand-Target Pair