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Compile Data Set for Download or QSAR

Found 387 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 12'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059194
PNG
(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)
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0.200n/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))
BDBM301575
PNG
(BDBM301631 | US10131675, Example 61)
Show SMILES CCN(C1CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1
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0.390n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
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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<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))
BDBM50059201
PNG
(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)
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0.900n/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))
BDBM50059202
PNG
(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)
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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))
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))
BDBM301624
PNG
(US10131675, Example 110)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(Cl)c2c1)N1CC(C1)C#N
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1.25n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301643
PNG
(US10131675, Example 129)
Show SMILES CN(C)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F
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1.64n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059205
PNG
(CHEMBL3393322)
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)
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2n/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))
BDBM301657
PNG
(US10131675, Example 144)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C#N)N1CC2CC1C2 |(-6.27,.53,;-5.87,-.96,;-7.36,-.56,;-6.5,-2.37,;-5.6,-3.61,;-4.06,-3.45,;-3.44,-2.05,;-4.34,-.8,;-3.44,.45,;-1.97,-.03,;-.64,.74,;.69,-.03,;.69,-1.57,;-.64,-2.34,;-1.97,-1.57,;2.03,-2.34,;2.03,-3.88,;3.36,-4.65,;4.7,-3.88,;6.03,-4.65,;4.7,-2.34,;3.36,-1.57,;6.03,-1.57,;7.36,-.8,;-.64,2.28,;-1.89,3.19,;-1.41,4.65,;.13,4.65,;.61,3.19,;-.64,3.32,)|
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2.23n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
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=1/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))
BDBM301518
PNG
(US10131675, Example 3)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-6.24,-.74,;-5.47,-2.07,;-6.37,-3.32,;-5.47,-4.56,;-4,-4.09,;-2.67,-4.86,;-1.33,-4.09,;-1.33,-2.55,;-2.67,-1.78,;-4,-2.55,;,-1.78,;1.33,-2.55,;2.67,-1.78,;4,-2.55,;5.47,-2.07,;6.37,-3.32,;5.47,-4.56,;4,-4.09,;4.83,-3.32,;2.67,-.24,;3.81,.8,;3.19,2.2,;1.65,2.04,;.75,3.29,;1.37,4.69,;2.91,4.86,;3.81,3.61,;4.9,4.7,;5.3,3.21,;1.33,.53,;,-.24,)|
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4.92n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301556
PNG
(US10131675, Example 42)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(C#N)c2c1)N1CCC2(COC2)C1
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4.97n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059200
PNG
(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)
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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
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059189
PNG
(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)
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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
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301635
PNG
(US10131675, Example 121)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(C2CC2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
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5.48n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301554
PNG
(US10131675, Example 40)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(Cl)c2c1)N1CC(O)C1
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5.91n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301604
PNG
(US10131675, Example 90)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C(F)(F)F)N1CC2CC1C2 |(-5.95,.58,;-5.95,-.96,;-7.29,-.19,;-6.58,-2.37,;-5.67,-3.61,;-4.14,-3.45,;-3.51,-2.05,;-4.42,-.8,;-3.51,.45,;-2.05,-.03,;-.72,.74,;.62,-.03,;.62,-1.57,;-.72,-2.34,;-2.05,-1.57,;1.95,-2.34,;1.95,-3.88,;3.28,-4.65,;4.62,-3.88,;5.95,-4.65,;4.62,-2.34,;3.28,-1.57,;5.95,-1.57,;5.95,-.03,;7.29,-.8,;7.29,-2.34,;-.72,2.28,;-1.96,3.19,;-1.49,4.65,;.05,4.65,;.53,3.19,;-.9,3.38,)|
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5.98n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301658
PNG
(US10131675, Example 145)
Show SMILES COC1CN(C1)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F
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6.49n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301553
PNG
(US10131675, Example 39)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(c2c1)C(F)(F)F)N1CC(O)C1
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6.79n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059206
PNG
(CHEMBL3393321)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1
Show InChI InChI=1/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)
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7n/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))
BDBM50059207
PNG
(CHEMBL3393320)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCCNC2)c1
Show InChI InChI=1/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)
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7n/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))
BDBM301519
PNG
(US10131675, Example 4)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(F)C2)c2nc3n(CCOC3(C)C)c2n1
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9.74n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301559
PNG
(US10131675, Example 45)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(c2c1)C(F)(F)F)N1CC(F)C1 |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
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9.87n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301544
PNG
(US10131675, Example 30)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CCC3(COC3)C2)c2nc3n(CCOC3(C)C)c2n1
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10.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301580
PNG
(US10131675, Example 66)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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11.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301546
PNG
(US10131675, Example 32)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(O)C2)c2nc3n(CCOC3(C)C)c2n1
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13.1n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301601
PNG
(US10131675, Example 87)
Show SMILES COc1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
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14n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
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))
BDBM301642
PNG
(US10131675, Example 128)
Show SMILES CN(C)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(C#N)c2c1
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17.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
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=1/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))
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))
BDBM301630
PNG
(US10131675, Example 116)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)nc1)N1CC2CC1C2 |(-4.81,.53,;-5.21,-.96,;-6.7,-.56,;-5.83,-2.37,;-4.93,-3.61,;-3.4,-3.45,;-2.77,-2.05,;-3.68,-.8,;-2.77,.45,;-1.31,-.03,;.03,.74,;1.36,-.03,;1.36,-1.57,;.03,-2.34,;-1.31,-1.57,;2.69,-2.34,;2.69,-3.88,;4.03,-4.65,;5.36,-3.88,;6.7,-4.65,;5.36,-2.34,;4.03,-1.57,;.03,2.28,;-1.22,3.19,;-.74,4.65,;.8,4.65,;1.27,3.19,;.03,3.32,)|
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21.3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059212
PNG
(CHEMBL3393312)
Show SMILES Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1/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)
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24n/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))
BDBM50128338
PNG
(CHEMBL3629019)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(C3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1/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)
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25n/an/an/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059215
PNG
(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)
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25n/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))
BDBM301588
PNG
(US10131675, Example 74)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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25.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301555
PNG
(US10131675, Example 41)
Show SMILES COC1CN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cc(C#N)c2c1 |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|
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30.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301648
PNG
(US10131675, Example 135)
Show SMILES Nc1ncc(cc1OC(F)F)-c1nc(N2CC3CC2C3)c2nc3COCCCn3c2n1 |(-6.46,-2.72,;-5.13,-1.95,;-5.13,-.41,;-3.79,.36,;-2.46,-.41,;-2.46,-1.95,;-3.79,-2.72,;-3.79,-4.27,;-5.13,-5.04,;-6.46,-4.27,;-5.13,-6.57,;-1.13,.36,;-1.13,1.9,;.21,2.67,;.21,4.21,;-1.04,5.11,;-.56,6.57,;.98,6.57,;1.45,5.11,;-.09,5.11,;1.54,1.9,;3.01,2.37,;3.91,1.13,;5.45,1.13,;6.46,.03,;6.19,-1.48,;4.83,-2.21,;3.41,-1.61,;3.01,-.12,;1.54,.36,;.21,-.41,)|
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30.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301548
PNG
(US10131675, Example 34)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CCC2C3)c2nc3n(CCOC3(C)C)c2n1
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31.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301659
PNG
(US10131675, Example 146)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC2CC1C2 |(6.17,1.48,;5.4,2.82,;6.88,3.22,;5.24,4.35,;3.83,4.98,;2.58,4.07,;2.74,2.54,;4.15,1.91,;3.99,.38,;2.48,.06,;1.71,-1.27,;.17,-1.27,;-.6,.06,;.17,1.39,;1.71,1.39,;-2.14,.06,;-2.91,1.39,;-4.45,1.39,;-5.22,.06,;-6.72,-.26,;-6.88,-1.79,;-5.48,-2.42,;-4.45,-1.27,;-2.91,-1.27,;2.48,-2.61,;4.02,-2.61,;4.5,-4.07,;3.25,-4.98,;2.01,-4.07,;3.1,-2.98,)|
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32.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301581
PNG
(US10131675, Example 67)
Show SMILES CC(C)c1c[nH]c2ncc(cc12)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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32.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059203
PNG
(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)
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33n/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))
BDBM301633
PNG
(US10131675, Example 119)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(OC(F)F)c1)C1CC1
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34.3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059214
PNG
(CHEMBL3393308)
Show SMILES Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1
Show InChI InChI=1/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)
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35n/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))
BDBM301660
PNG
(US10131675, Example 147)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC2CCC1C2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
39.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10131675 (2018)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059204
PNG
(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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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41n/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
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