Found 196 hits with Last Name = 'lewcock' and Initial = 'jw' 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 |
|---|
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059194
(CHEMBL3393337)Show SMILES N#Cc1ccnc(Nc2cc(cc(OC3CCC3)n2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C23H27N5O2/c24-13-16-4-7-25-21(10-16)26-22-11-18(12-23(27-22)30-20-2-1-3-20)17-5-8-28(9-6-17)19-14-29-15-19/h4,7,10-12,17,19-20H,1-3,5-6,8-9,14-15H2,(H,25,26,27) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059190
(CHEMBL3393333)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29) | PDB
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| <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059191
(CHEMBL3393334)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CN(C1)C1COC1 Show InChI InChI=1S/C21H22F2N6O/c22-21(23)2-4-28(13-21)20-7-15(16-9-29(10-16)17-11-30-12-17)6-19(27-20)26-18-5-14(8-24)1-3-25-18/h1,3,5-7,16-17H,2,4,9-13H2,(H,25,26,27) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059201
(CHEMBL3393329)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCOCC1 Show InChI InChI=1S/C20H21F2N5O/c21-20(22)4-6-27(13-20)19-11-16(15-2-7-28-8-3-15)10-18(26-19)25-17-9-14(12-23)1-5-24-17/h1,5,9-11,15H,2-4,6-8,13H2,(H,24,25,26) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271221
(CHEMBL3717769)Show SMILES [H][C@@]12CN(CC(F)F)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H22F5N5/c1-9(2)29-15(17-11-6-28(7-12(11)17)8-16(20)21)4-14(27-29)10-3-13(19(22,23)24)18(25)26-5-10/h3-5,9,11-12,16-17H,6-8H2,1-2H3,(H2,25,26)/t11-,12+,17+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059198
(CHEMBL3393340)Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)C2CC2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C22H25N5O/c23-12-15-3-6-24-21(9-15)26-22-11-18(10-20(25-22)17-1-2-17)16-4-7-27(8-5-16)19-13-28-14-19/h3,6,9-11,16-17,19H,1-2,4-5,7-8,13-14H2,(H,24,25,26) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059202
(CHEMBL3393327)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C22H24F5N5O/c1-14(33)31-7-3-15(4-8-31)16-10-19(29-18-12-17(2-6-28-18)22(25,26)27)30-20(11-16)32-9-5-21(23,24)13-32/h2,6,10-12,15H,3-5,7-9,13H2,1H3,(H,28,29,30) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059205
(CHEMBL3393322 | US9868720, No. 92)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1 Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-8-30(11-18)17-27-14(12-1-5-25-6-2-12)10-16(29-17)28-15-9-13(3-7-26-15)19(22,23)24/h3,7,9-10,12,25H,1-2,4-6,8,11H2,(H,26,27,28,29) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271243
(CHEMBL3718344)Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(c2c1)C(F)(F)F Show InChI InChI=1S/C22H26F3N5O/c1-13(2)30-20(14-3-5-29(6-4-14)16-11-31-12-16)8-19(28-30)15-7-17-18(22(23,24)25)10-27-21(17)26-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,26,27) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271242
(CHEMBL4125721)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r| Show InChI InChI=1S/C21H24F3N5O2/c22-21(23,24)31-18-3-12(5-26-20(18)25)16-4-17(29(27-16)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271208
(CHEMBL4128619)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(C)C)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C21H26F3N5O/c1-11(2)6-29-18(19-14-7-28(8-15(14)19)13-9-30-10-13)4-17(27-29)12-3-16(21(22,23)24)20(25)26-5-12/h3-5,11,13-15,19H,6-10H2,1-2H3,(H2,25,26)/t14-,15+,19+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271207
(CHEMBL3719135)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r| Show InChI InChI=1S/C20H24F3N5O2/c1-10(2)28-16(18-13-6-27(7-14(13)18)12-8-29-9-12)4-15(26-28)11-3-17(19(24)25-5-11)30-20(21,22)23/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271233
(CHEMBL4129958)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C19H22F3N5O/c1-2-27-16(17-12-6-26(7-13(12)17)11-8-28-9-11)4-15(25-27)10-3-14(19(20,21)22)18(23)24-5-10/h3-5,11-13,17H,2,6-9H2,1H3,(H2,23,24)/t12-,13+,17+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271212
(CHEMBL3715238)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059211
(CHEMBL3393314)Show SMILES CC(C)c1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O/c1-17(2)20-11-12-26-23(14-20)29-24-15-22(27-18(3)28-24)21-10-7-13-30(16-21)25(31)19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,17,21H,7,10,13,16H2,1-3H3,(H,26,27,28,29) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271228
(CHEMBL4128889)Show SMILES [H][C@@]12CN(CC(C)O)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H26F3N5O/c1-10(2)28-17(18-13-8-27(7-11(3)29)9-14(13)18)5-16(26-28)12-4-15(20(21,22)23)19(24)25-6-12/h4-6,10-11,13-14,18,29H,7-9H2,1-3H3,(H2,24,25)/t11?,13-,14+,18+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271241
(CHEMBL3718912)Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(C)c2c1 Show InChI InChI=1S/C22H29N5O/c1-14(2)27-21(16-4-6-26(7-5-16)18-12-28-13-18)9-20(25-27)17-8-19-15(3)10-23-22(19)24-11-17/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,23,24) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271219
(CHEMBL4125824)Show SMILES [H][C@@]12CN(CC3COC3)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N5O/c1-11(2)29-18(19-14-7-28(8-15(14)19)6-12-9-30-10-12)4-17(27-29)13-3-16(21(22,23)24)20(25)26-5-13/h3-5,11-12,14-15,19H,6-10H2,1-2H3,(H2,25,26)/t14-,15+,19+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059200
(CHEMBL3393330)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1(CCOCC1)C#N Show InChI InChI=1S/C21H20F2N6O/c22-21(23)2-6-29(14-21)19-11-16(20(13-25)3-7-30-8-4-20)10-18(28-19)27-17-9-15(12-24)1-5-26-17/h1,5,9-11H,2-4,6-8,14H2,(H,26,27,28) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059189
(CHEMBL3393332)Show SMILES CC(C)(O)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271220
(CHEMBL3718265)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F)C(C)=O |r| Show InChI InChI=1S/C19H22F3N5O/c1-9(2)27-16(17-12-7-26(10(3)28)8-13(12)17)5-15(25-27)11-4-14(19(20,21)22)18(23)24-6-11/h4-6,9,12-13,17H,7-8H2,1-3H3,(H2,23,24)/t12-,13+,17+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Protein delta homolog 1
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | KEGG
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 61: 8078-8087 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00370
BindingDB Entry DOI: 10.7270/Q2G163G3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271258
(CHEMBL3717481)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C20H24F3N5O/c1-10(2)28-17(18-13-6-27(7-14(13)18)12-8-29-9-12)4-16(26-28)11-3-15(20(21,22)23)19(24)25-5-11/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18+ | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271217
(CHEMBL3715469)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC)c1)C1COC1 |r| Show InChI InChI=1S/C20H27N5O2/c1-11(2)25-17(19-14-7-24(8-15(14)19)13-9-27-10-13)5-16(23-25)12-4-18(26-3)20(21)22-6-12/h4-6,11,13-15,19H,7-10H2,1-3H3,(H2,21,22)/t14-,15+,19+ | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059206
(CHEMBL3393321)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1 Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29) | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059207
(CHEMBL3393320)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCCNC2)c1 Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-5-7-24-16(10-14)26-17-11-15(13-4-3-6-23-12-13)25-18(27-17)28-8-1-2-9-28/h5,7,10-11,13,23H,1-4,6,8-9,12H2,(H,24,25,26,27) | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059192
(CHEMBL3393335)Show SMILES COC1CN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C23H28N6O2/c1-30-20-12-29(13-20)23-10-18(17-3-6-28(7-4-17)19-14-31-15-19)9-22(27-23)26-21-8-16(11-24)2-5-25-21/h2,5,8-10,17,19-20H,3-4,6-7,12-15H2,1H3,(H,25,26,27) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271218
(CHEMBL3714987)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)F)c1)C1COC1 |r| Show InChI InChI=1S/C20H25F2N5O2/c1-10(2)27-16(18-13-6-26(7-14(13)18)12-8-28-9-12)4-15(25-27)11-3-17(29-20(21)22)19(23)24-5-11/h3-5,10,12-14,18,20H,6-9H2,1-2H3,(H2,23,24)/t13-,14+,18+ | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059193
(CHEMBL3393336)Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)N2CCC2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C22H26N6O/c23-13-16-2-5-24-20(10-16)25-21-11-18(12-22(26-21)28-6-1-7-28)17-3-8-27(9-4-17)19-14-29-15-19/h2,5,10-12,17,19H,1,3-4,6-9,14-15H2,(H,24,25,26) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271227
(CHEMBL3716231)Show SMILES [H][C@@]12CN(CCOC)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H26F3N5O/c1-11(2)28-17(18-13-9-27(4-5-29-3)10-14(13)18)7-16(26-28)12-6-15(20(21,22)23)19(24)25-8-12/h6-8,11,13-14,18H,4-5,9-10H2,1-3H3,(H2,24,25)/t13-,14+,18+ | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271211
(CHEMBL4128477)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CCCC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C23H28F3N5O/c24-23(25,26)18-5-14(7-28-22(18)27)19-6-20(31(29-19)8-13-3-1-2-4-13)21-16-9-30(10-17(16)21)15-11-32-12-15/h5-7,13,15-17,21H,1-4,8-12H2,(H2,27,28)/t16-,17+,21+ | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271210
(CHEMBL3714822)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CCC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C22H26F3N5O/c23-22(24,25)17-4-13(6-27-21(17)26)18-5-19(30(28-18)7-12-2-1-3-12)20-15-8-29(9-16(15)20)14-10-31-11-14/h4-6,12,14-16,20H,1-3,7-11H2,(H2,26,27)/t15-,16+,20+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059199
(CHEMBL3393331)Show SMILES CC(C)(C#N)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C19H18F2N6/c1-18(2,11-23)14-8-16(25-15-7-13(10-22)3-5-24-15)26-17(9-14)27-6-4-19(20,21)12-27/h3,5,7-9H,4,6,12H2,1-2H3,(H,24,25,26) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271230
(CHEMBL3716456)Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(Cl)c2c1 Show InChI InChI=1S/C21H26ClN5O/c1-13(2)27-20(14-3-5-26(6-4-14)16-11-28-12-16)8-19(25-27)15-7-17-18(22)10-24-21(17)23-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,23,24) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271240
(CHEMBL3718522)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(F)(F)F)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C19H19F6N5O/c20-18(21,22)8-30-15(16-11-4-29(5-12(11)16)10-6-31-7-10)2-14(28-30)9-1-13(19(23,24)25)17(26)27-3-9/h1-3,10-12,16H,4-8H2,(H2,26,27)/t11-,12+,16+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059210
(CHEMBL3393315)Show SMILES Cc1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H27N5O/c1-17-27-22(15-24(28-17)29-23-14-20(11-12-26-23)18-9-10-18)21-8-5-13-30(16-21)25(31)19-6-3-2-4-7-19/h2-4,6-7,11-12,14-15,18,21H,5,8-10,13,16H2,1H3,(H,26,27,28,29) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059197
(CHEMBL3393339)Show SMILES CCc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C21H25N5O/c1-2-18-10-17(16-4-7-26(8-5-16)19-13-27-14-19)11-21(24-18)25-20-9-15(12-22)3-6-23-20/h3,6,9-11,16,19H,2,4-5,7-8,13-14H2,1H3,(H,23,24,25) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271209
(CHEMBL4127238)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(C)(C)O)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C21H26F3N5O2/c1-20(2,30)10-29-17(18-13-6-28(7-14(13)18)12-8-31-9-12)4-16(27-29)11-3-15(21(22,23)24)19(25)26-5-11/h3-5,12-14,18,30H,6-10H2,1-2H3,(H2,25,26)/t13-,14+,18+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059212
(CHEMBL3393312)Show SMILES Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H22F3N5O/c1-15-28-19(13-21(29-15)30-20-12-18(9-10-27-20)23(24,25)26)17-8-5-11-31(14-17)22(32)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,27,28,29,30) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50128338
(CHEMBL3629019)Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(C3)C3COC3)n(n2)C2CCCC2)c1 Show InChI InChI=1S/C21H26N6O/c22-11-15-5-7-23-20(9-15)24-21-10-19(27(25-21)17-3-1-2-4-17)16-6-8-26(12-16)18-13-28-14-18/h5,7,9-10,16-18H,1-4,6,8,12-14H2,(H,23,24,25) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba... |
J Med Chem 58: 8182-99 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059215
(CHEMBL3393328)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C22H24F2N6O/c1-15(31)29-7-3-17(4-8-29)18-11-20(27-19-10-16(13-25)2-6-26-19)28-21(12-18)30-9-5-22(23,24)14-30/h2,6,10-12,17H,3-5,7-9,14H2,1H3,(H,26,27,28) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059203
(CHEMBL3393324)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1 Show InChI InChI=1S/C21H23F5N6O/c1-13(33)31-7-3-14(4-8-31)16-11-18(29-17-10-15(2-6-27-17)21(24,25)26)30-19(28-16)32-9-5-20(22,23)12-32/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H,27,28,29,30) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059214
(CHEMBL3393308)Show SMILES Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1 Show InChI InChI=1S/C21H23N5OS/c1-14-12-22-21(28-14)25-19-11-18(23-15(2)24-19)17-9-6-10-26(13-17)20(27)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H,22,23,24,25) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50271216
(CHEMBL3717627)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)F)C1COC1 |r| Show InChI InChI=1S/C20H25F2N5O/c1-10(2)27-17(18-14-6-26(7-15(14)18)12-8-28-9-12)4-16(25-27)11-3-13(19(21)22)20(23)24-5-11/h3-5,10,12,14-15,18-19H,6-9H2,1-2H3,(H2,23,24)/t14-,15+,18+ | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4... |
J Med Chem 60: 8083-8102 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K |
More data for this
Ligand-Target Pair | |
Protein delta homolog 1
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | KEGG
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 61: 8078-8087 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00370
BindingDB Entry DOI: 10.7270/Q2G163G3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059204
(CHEMBL3393323)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1 Show InChI InChI=1S/C19H20F5N5O/c20-18(21)4-6-29(11-18)17-26-14(12-2-7-30-8-3-12)10-16(28-17)27-15-9-13(1-5-25-15)19(22,23)24/h1,5,9-10,12H,2-4,6-8,11H2,(H,25,26,27,28) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50128294
(CHEMBL3629013)Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1 Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26) | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba... |
J Med Chem 58: 8182-99 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50128337
(CHEMBL3629018)Show SMILES N#Cc1ccnc(Nc2cc(C3CN(C3)C3COC3)n(n2)C2CCCC2)c1 Show InChI InChI=1S/C20H24N6O/c21-9-14-5-6-22-19(7-14)23-20-8-18(26(24-20)16-3-1-2-4-16)15-10-25(11-15)17-12-27-13-17/h5-8,15-17H,1-4,10-13H2,(H,22,23,24) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba... |
J Med Chem 58: 8182-99 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50128333
(CHEMBL3629014)Show SMILES FC1(F)CCC(C1)n1nc(Nc2cc(ccn2)C#N)cc1C1CCN(CC1)C1COC1 Show InChI InChI=1S/C22H26F2N6O/c23-22(24)5-1-17(11-22)30-19(16-3-7-29(8-4-16)18-13-31-14-18)10-21(28-30)27-20-9-15(12-25)2-6-26-20/h2,6,9-10,16-18H,1,3-5,7-8,11,13-14H2,(H,26,27,28) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba... |
J Med Chem 58: 8182-99 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50128339
(CHEMBL3629172)Show InChI InChI=1S/C18H21N5O/c19-11-13-5-7-20-17(9-13)21-18-10-16(14-6-8-24-12-14)23(22-18)15-3-1-2-4-15/h5,7,9-10,14-15H,1-4,6,8,12H2,(H,20,21,22) | PDB
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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba... |
J Med Chem 58: 8182-99 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0 |
More data for this
Ligand-Target Pair | |
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