Found 88 hits of ic50 data for polymerid = 50004844 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)) | BDBM289504
(1-(4-(6-amino-5-(tri- fluoromethyl)pyridin-3- yl)-...)Show SMILES CC(C)C(O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H28F3N5O2/c1-13(2)17(31)19-28-16(14-7-15(22(23,24)25)18(26)27-8-14)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609715
(CHEMBL5286166) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609716
(CHEMBL5272522) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609718
(CHEMBL5288706) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609719
(CHEMBL5283101) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609708
(CHEMBL5281494) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PDB
UniChem
| PDB
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609705
(CHEMBL5268969) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609700
(CHEMBL5271972) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609717
(CHEMBL5271665) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609697
(GDC-0134 | Gdc-0134 | Rg-6000) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609714
(CHEMBL5270353) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609712
(CHEMBL5276415) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609710
(CHEMBL5276337) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609711
(CHEMBL5268950) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609701
(CHEMBL5277276) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609707
(CHEMBL5284890) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 18.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human DLK using MBP as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609704
(CHEMBL5278185) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609703
(CHEMBL5269484) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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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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| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | BDBM50609702
(CHEMBL5278476) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609699
(CHEMBL5284496) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50609709
(CHEMBL5273015) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | BDBM50609713
(CHEMBL5269792) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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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| CHEMBL
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Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | BDBM50609706
(CHEMBL5277751) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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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UniProtKB/SwissProt
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AffyNet
| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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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| PC cid
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| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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)) | 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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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs in presence of 10% bovine ser... |
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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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human DLK using MBP as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
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
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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)) | BDBM50609698
(CHEMBL5281886) | PDB
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TBA
| |
Citation and Details
|
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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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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)) | 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
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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)) | 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 human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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 human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay |
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)) | 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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WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas... |
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 | |
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