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Compile Data Set for Download or QSAR

Found 293 hits of ki for UniProtKB: Q12852   
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))
BDBM365304
PNG
((2-Methoxy-4-methyl- phenyl)-{3-[6-(4-methyl- pyri...)
PDB

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0.170n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
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
PDB

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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))
BDBM365250
PNG
(US9868720, No. 169 | [6-(1-Methyl-piperidin- 4-yl)...)
PDB

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0.400n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM365305
PNG
(US9868720, No. 426 | {3-[2-(3,3-Difluoro- pyrroli...)
PDB

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0.5n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
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))
BDBM365231
PNG
(US9868720, No. 65 | [2-(2-Methyl-pyrrolidin- 1-yl)...)
PDB

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0.735n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365240
PNG
(US9868720, No. 111 | [2-((R)-2-Methyl-pyrrolidin- ...)
PDB

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0.850n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM365260
PNG
((4-Cyclopropyl-pyridin- 2-yl)-[2-((R)-2-methyl- py...)
PDB

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0.950n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
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))
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))
BDBM365261
PNG
(2-Imidazol-1-yl-1-{3-[2- (2-methyl-pyrrolidin-1- y...)
PDB

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1.59n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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
PDB

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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))
BDBM365290
PNG
((1-Methyl-1H-imidazol- 4-yl)-{3-[2-(2-methyl- pyrr...)
PDB

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1.72n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059205
PNG
(CHEMBL3393322 | US9868720, No. 92)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-8-30(11-18)17-27-14(12-1-5-25-6-2-12)10-16(29-17)28-15-9-13(3-7-26-15)19(22,23)24/h3,7,9-10,12,25H,1-2,4-6,8,11H2,(H,26,27,28,29)
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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))
BDBM365252
PNG
(1-{4-[2-((R)-2-Methyl- pyrrolidin-1-yl)-6-(4- trif...)
PDB

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2.20n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM50059205
PNG
(CHEMBL3393322 | US9868720, No. 92)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-8-30(11-18)17-27-14(12-1-5-25-6-2-12)10-16(29-17)28-15-9-13(3-7-26-15)19(22,23)24/h3,7,9-10,12,25H,1-2,4-6,8,11H2,(H,26,27,28,29)
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2.43n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365237
PNG
(US9868720, No. 96 | [2-(3,3-Difluoro-piperidin- 1-...)
PDB

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3.10n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365259
PNG
(US9868720, No. 201 | [2-(3,3-Difluoro-pyrrolidin- ...)
PDB

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3.20n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM365248
PNG
(US9868720, No. 160 | [2-(3,3-Difluoro-pyrrolidin- ...)
PDB

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4.42n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365232
PNG
((2-Pyrrolidin-1-yl-6-pyr- rolidin-3-yl-pyrimidin- ...)
PDB

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4.80n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM365298
PNG
(US9868720, No. 404 | {2-(3,3-Difluoro-pyrrolidin- ...)
PDB

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4.92n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
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))
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))
BDBM365302
PNG
(US9868720, No. 423 | {2-(1-Methyl-1H-pyrazol- 4-yl...)
PDB

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5.21n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM365281
PNG
(1-Methyl-4-[2-(2-methyl- pyrrolidin-1-yl)-6-(4- tr...)
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6.12n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
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))
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))
BDBM365261
PNG
(2-Imidazol-1-yl-1-{3-[2- (2-methyl-pyrrolidin-1- y...)
PDB

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7.69n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM365253
PNG
(3-{4-[2-(2-Methyl-pyrrolidin- 1-yl)-6-(4-trifluoro...)
PDB

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8.03n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365258
PNG
((4-tert-Butyl-pyridin-2- yl)-[2-(3,3-difluoro- pyr...)
PDB

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8.34n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365242
PNG
((4-Chloro-pyridin-2-yl)- [2-(3,3-difluoro-pyrrolid...)
PDB

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8.55n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365292
PNG
(US9868720, No. 388 | {2-(2-Methyl-2H-pyrazol- 3-yl...)
PDB

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8.75n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365293
PNG
(US9868720, No. 391 | [2-Cyclopentyl-6-(1- oxetan-3...)
PDB

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9n/an/an/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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
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