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8 similar compounds to monomer 50059212

Compile data set for download or QSAR
Wt: 398.4
BDBM50059209
Wt: 413.5
BDBM50059210
Wt: 415.5
BDBM50059211
Wt: 387.4
BDBM50059213
Wt: 441.4
BDBM50059253
Wt: 387.4
BDBM50059257
Wt: 373.4
BDBM50059248
Wt: 401.5
BDBM50059249

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50059209,50059210,50059211,50059213,50059253,50059257,50059248,50059249   
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
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059211
PNG
(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)
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4n/an/an/an/an/an/an/an/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))
BDBM50059210
PNG
(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)
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18n/an/an/an/an/an/an/an/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))
BDBM50059213
PNG
(CHEMBL3393310)
Show SMILES Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
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85n/an/an/an/an/an/an/an/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))
BDBM50059209
PNG
(CHEMBL3393317)
Show SMILES Cc1nc(Nc2cc(ccn2)C#N)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N6O/c1-16-26-20(13-22(27-16)28-21-12-17(14-24)9-10-25-21)19-8-5-11-29(15-19)23(30)18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,19H,5,8,11,15H2,1H3,(H,25,26,27,28)
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90n/an/an/an/an/an/an/an/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))
BDBM50059249
PNG
(CHEMBL3393313)
Show SMILES CCc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H27N5O/c1-3-18-11-12-25-22(14-18)28-23-15-21(26-17(2)27-23)20-10-7-13-29(16-20)24(30)19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,20H,3,7,10,13,16H2,1-2H3,(H,25,26,27,28)
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195n/an/an/an/an/an/an/an/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))
BDBM50059257
PNG
(CHEMBL3393309)
Show SMILES Cc1ccc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)nc1
Show InChI InChI=1S/C23H25N5O/c1-16-10-11-21(24-14-16)27-22-13-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
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401n/an/an/an/an/an/an/an/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))
BDBM50059253
PNG
(CHEMBL3393311)
Show SMILES Cc1nc(Nc2ccc(cn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22F3N5O/c1-15-28-19(12-21(29-15)30-20-10-9-18(13-27-20)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)
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691n/an/an/an/an/an/an/an/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))
BDBM50059248
PNG
(CHEMBL3393316)
Show SMILES Cc1nc(Nc2ccccn2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H23N5O/c1-16-24-19(14-21(25-16)26-20-11-5-6-12-23-20)18-10-7-13-27(15-18)22(28)17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15H2,1H3,(H,23,24,25,26)
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942n/an/an/an/an/an/an/an/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))
BDBM50059211
PNG
(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)
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n/an/a 1.30E+3n/an/an/an/an/an/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))
BDBM50059210
PNG
(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)
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n/an/a 486n/an/an/an/an/an/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))
BDBM50059209
PNG
(CHEMBL3393317)
Show SMILES Cc1nc(Nc2cc(ccn2)C#N)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N6O/c1-16-26-20(13-22(27-16)28-21-12-17(14-24)9-10-25-21)19-8-5-11-29(15-19)23(30)18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,19H,5,8,11,15H2,1H3,(H,25,26,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/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))
BDBM50059213
PNG
(CHEMBL3393310)
Show SMILES Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
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n/an/a 767n/an/an/an/an/an/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