Found 8 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase ULK2
(Homo sapiens (Human)) | BDBM50111572
(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) | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Universitt China Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged ULK2 (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 | 
3D Structure (crystal) |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50111572
(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) | PDB
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PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50111577
(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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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase ULK2
(Homo sapiens (Human)) | BDBM50271370
(CHEMBL4127042)Show SMILES CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=N)C4CCC4)n3)ccc2C1 Show InChI InChI=1S/C25H35N7/c1-32-13-10-19-14-21(9-8-20(19)16-32)30-25-29-15-22(17-6-7-17)24(31-25)28-12-3-11-27-23(26)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H2,26,27)(H2,28,29,30,31) | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Universitt China Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged ULK2 (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)) | BDBM50271370
(CHEMBL4127042)Show SMILES CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=N)C4CCC4)n3)ccc2C1 Show InChI InChI=1S/C25H35N7/c1-32-13-10-19-14-21(9-8-20(19)16-32)30-25-29-15-22(17-6-7-17)24(31-25)28-12-3-11-27-23(26)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H2,26,27)(H2,28,29,30,31) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| Article
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| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/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 ULK2
(Homo sapiens (Human)) | BDBM379177
(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) | PDB
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| n/a | n/a | 711 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Universitt China Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged ULK2 (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 |
3D Structure (crystal) |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50271371
(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 | PDB
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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 | |
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