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33 similar compounds to monomer 50059194

Compile data set for download or QSAR
Wt: 348.4
BDBM50059195
Wt: 318.3
BDBM50059183
Wt: 322.3
BDBM50059184
Wt: 338.7
BDBM50059185
Wt: 427.5
BDBM50059186
Wt: 440.5
BDBM50059187
Wt: 406.5
BDBM50059188
Wt: 440.4
BDBM50059190
Purchase
Wt: 412.4
BDBM50059191
Wt: 420.5
BDBM50059192
Wt: 390.4
BDBM50059193
Wt: 349.4
BDBM50059196
Wt: 363.4
BDBM50059197
Wt: 375.4
BDBM50059198
Wt: 368.3
BDBM50059199
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50059195,50059183,50059184,50059185,50059186,50059187,50059188,50059190,50059191,50059192,50059193,50059196,50059197,50059198,50059199   
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))
BDBM50059190
PNG
(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)
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<0.5n/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
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059191
PNG
(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)
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0.700n/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))
BDBM50059198
PNG
(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)
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1n/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))
BDBM50059192
PNG
(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)
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8n/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))
BDBM50059193
PNG
(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)
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8n/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))
BDBM50059199
PNG
(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)
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14n/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))
BDBM50059197
PNG
(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)
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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))
BDBM50059196
PNG
(CHEMBL3393338)
Show SMILES Cc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24)
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93n/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 14


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059183
PNG
(CHEMBL3393292)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H18N2O2/c1-15-4-2-3-5-19(15)24-18-8-6-17(7-9-18)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059186
PNG
(CHEMBL3393305)
Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059187
PNG
(CHEMBL3393306)
Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
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n/an/a 6.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059188
PNG
(CHEMBL3393307)
Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059183
PNG
(CHEMBL3393292)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H18N2O2/c1-15-4-2-3-5-19(15)24-18-8-6-17(7-9-18)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059186
PNG
(CHEMBL3393305)
Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059187
PNG
(CHEMBL3393306)
Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059188
PNG
(CHEMBL3393307)
Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 30n/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
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059191
PNG
(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)
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n/an/a 57n/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))
BDBM50059192
PNG
(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)
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n/an/a 233n/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))
BDBM50059193
PNG
(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)
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n/an/a 141n/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))
BDBM50059196
PNG
(CHEMBL3393338)
Show SMILES Cc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24)
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n/an/a 1.60E+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))
BDBM50059197
PNG
(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)
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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))
BDBM50059198
PNG
(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)
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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))
BDBM50059199
PNG
(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)
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n/an/a 193n/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
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of MKK4 (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
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of MKK7 (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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 129n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (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 9


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 514n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (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 10


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 364n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (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 9 (MLK1)


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 68n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (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 10


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 767n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK2 (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 14


(Homo sapiens (Human))
BDBM50059188
PNG
(CHEMBL3393307)
Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059187
PNG
(CHEMBL3393306)
Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059186
PNG
(CHEMBL3393305)
Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059183
PNG
(CHEMBL3393292)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H18N2O2/c1-15-4-2-3-5-19(15)24-18-8-6-17(7-9-18)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50059190
PNG
(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)
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n/an/a 602n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50059195
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-isopropyl-1-prop...)
Show SMILES CCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O3S/c1-6-7-23-20-17(15(11(2)3)16(21)19-18(20)22)24-14-9-12(4)8-13(5)10-14/h8-11H,6-7H2,1-5H3,(H,19,21,22)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 recombinant reverse transcriptase


J Med Chem 40: 2363-73 (1997)


Article DOI: 10.1021/jm9607921
BindingDB Entry DOI: 10.7270/Q2TB161T
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50059195
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-isopropyl-1-prop...)
Show SMILES CCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O3S/c1-6-7-23-20-17(15(11(2)3)16(21)19-18(20)22)24-14-9-12(4)8-13(5)10-14/h8-11H,6-7H2,1-5H3,(H,19,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on Molony Murine Leukemia virus (mo-MuLv) recombinant reverse transcriptase


J Med Chem 40: 2363-73 (1997)


Article DOI: 10.1021/jm9607921
BindingDB Entry DOI: 10.7270/Q2TB161T
More data for this
Ligand-Target Pair