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Compile Data Set for Download or QSAR

Found 1132 hits with Last Name = 'tellis' and Initial = 'j'   
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 kinase 1


(Homo sapiens (Human))
BDBM598225
PNG
((3R,4S)-4-Methyltetrahydrofuran-3-yl(8- amino-6-(8...)
Show SMILES C[C@H]1COC[C@@H]1OC(=O)Nc1cc2cc(cc(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598103
PNG
(US11612606, Compound 452d | amino-7-fluoro-6-(8-me...)
Show SMILES CN1C[C@@H](F)[C@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598111
PNG
(US11612606, Compound 467d | azaspiro[4.4]nonan-3-y...)
Show SMILES CN1CC[C@@]2(C[C@@H](CO2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598119
PNG
(US11612606, Compound 478b | amino-7-fluoro-6-(8-me...)
Show SMILES CCN1C[C@H](CC1=O)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598122
PNG
(US11612606, Compound 479b | amino-7-fluoro-6-(8-me...)
Show SMILES CC(C)N1C[C@H](CC1=O)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598127
PNG
((trans)-2-Cyanocyclopentyl(8-amino-7- | US11612606...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CCCC3C#N)ncc2c(N)c1F |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598128
PNG
(US11612606, Compound 482b | fluoro-6-(8-methyl-2,3...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCCC3C#N)ncc2c(N)c1F |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598129
PNG
((1s,3s)-3-cyanocyclobutyl (8-amino-7- | US11612606...)
Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C#N)ncc2c(N)c1F |r,wU:20.21,22.26,(1.88,-.07,;3.21,.7,;4.55,-.07,;4.55,-1.61,;5.88,-2.38,;7.21,-1.61,;7.21,-.07,;5.88,.7,;5.88,2.24,;4.55,3.01,;3.21,2.24,;1.88,3.01,;.54,2.24,;-.79,3.01,;-2.12,2.24,;-3.46,3.01,;-4.79,2.24,;-4.79,.7,;-3.46,-.07,;-6.12,-.07,;-6.12,-1.61,;-5.03,-2.69,;-6.12,-3.78,;-7.21,-2.69,;-6.12,-5.32,;-6.12,-6.86,;-3.46,4.55,;-2.12,5.32,;-.79,4.55,;.54,5.32,;.54,6.86,;1.88,4.55,;3.21,5.32,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598130
PNG
((1s,3s)-3-Cyanocyclobutyl(8-amino-7- | US11612606,...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C#N)ncc2c(N)c1F |r,wU:20.21,22.26,(4.28,-2.31,;5.61,-1.54,;6.94,-2.31,;6.94,-3.85,;8.28,-4.62,;9.61,-3.85,;9.61,-2.31,;8.28,-1.54,;8.28,,;6.94,.77,;5.61,,;4.28,.77,;2.94,,;1.61,.77,;.28,,;-1.06,.77,;-2.39,,;-2.39,-1.54,;-1.06,-2.31,;-3.72,-2.31,;-5.06,-1.54,;-6.55,-1.94,;-6.94,-.45,;-5.46,-.05,;-8.28,.32,;-9.61,1.09,;-1.06,2.31,;.28,3.08,;1.61,2.31,;2.94,3.08,;2.94,4.62,;4.28,2.31,;5.61,3.08,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598132
PNG
((1s,3s)-3-Hydroxycyclobutyl(8-amino-7- | US1161260...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](O)C3)ncc2c(N)c1F |r,wU:20.21,22.24,(1.88,-.84,;3.21,-.07,;4.55,-.84,;4.55,-2.38,;5.88,-3.15,;7.21,-2.38,;7.21,-.84,;5.88,-.07,;5.88,1.47,;4.55,2.24,;3.21,1.47,;1.88,2.24,;.54,1.47,;-.79,2.24,;-2.12,1.47,;-3.46,2.24,;-4.79,1.47,;-4.79,-.07,;-3.46,-.84,;-6.12,-.84,;-6.12,-2.38,;-7.21,-3.47,;-6.12,-4.55,;-6.12,-6.09,;-5.03,-3.47,;-3.46,3.78,;-2.12,4.55,;-.79,3.78,;.54,4.55,;.54,6.09,;1.88,3.78,;3.21,4.55,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598133
PNG
((1r,3r)-3-Hydroxycyclobutyl(8-amino-7- | US1161260...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](O)C3)ncc2c(N)c1F |r,wD:20.21,22.24,(1.88,-.84,;3.21,-.07,;4.55,-.84,;4.55,-2.38,;5.88,-3.15,;7.21,-2.38,;7.21,-.84,;5.88,-.07,;5.88,1.47,;4.55,2.24,;3.21,1.47,;1.88,2.24,;.54,1.47,;-.79,2.24,;-2.12,1.47,;-3.46,2.24,;-4.79,1.47,;-4.79,-.07,;-3.46,-.84,;-6.12,-.84,;-6.12,-2.38,;-5.03,-3.47,;-6.12,-4.55,;-6.12,-6.09,;-7.21,-3.47,;-3.46,3.78,;-2.12,4.55,;-.79,3.78,;.54,4.55,;.54,6.09,;1.88,3.78,;3.21,4.55,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598134
PNG
(3-Hydroxy-3-methylcyclobutyl(8-amino- 7-fluoro-6-(...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC(C)(O)C3)ncc2c(N)c1F |(2.55,-2.09,;3.88,-1.32,;5.21,-2.09,;5.21,-3.63,;6.55,-4.4,;7.88,-3.63,;7.88,-2.09,;6.55,-1.32,;6.55,.22,;5.21,.99,;3.88,.22,;2.55,.99,;1.21,.22,;-.12,.99,;-1.46,.22,;-2.79,.99,;-4.12,.22,;-5.46,.99,;-5.46,2.53,;-6.79,.22,;-6.79,-1.32,;-7.88,-2.41,;-6.79,-3.5,;-7.56,-4.84,;-6.02,-4.84,;-5.7,-2.41,;-2.79,2.53,;-1.46,3.3,;-.12,2.53,;1.21,3.3,;1.21,4.84,;2.55,2.53,;3.88,3.3,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598136
PNG
(Cyclobutyl(8-amino-7-fluoro-6-(8- methyl-2,3-dihyd...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CCC3)ncc2c(N)c1F
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598139
PNG
(2-(2,2-Difluoroethyl)-2- azaspiro[3.3]heptan-6-yl(...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CN(CC(F)F)C4)ncc2c(N)c1F
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598140
PNG
((1R,5S,6r)-3-Isopropyl-3- | US11612606, Compound 4...)
Show SMILES CC(C)N1C[C@H]2[C@@H](C1)[C@@H]2OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598141
PNG
((1R,5S,6r)-3-(oxetan-3-yl)-3- | US11612606, Compou...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3[C@H]4CN(C[C@@H]34)C3COC3)ncc2c(N)c1F |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598142
PNG
((R)-6,7-dihydro-5H-pyrrolo[1,2- | US11612606, Comp...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3Cc4nccn4C3)ncc2c(N)c1F |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598144
PNG
((1R,5S,9s)-7-isopropyl-3-oxa-7- | US11612606, Comp...)
Show SMILES CC(C)N1CC2COCC(C1)C2OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |TLB:1:3:11:6.8.7,THB:12:11:6.8.7:10.4.3|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598145
PNG
((1R,5S,9s)-7-(2,2-difluoroethyl)-3-oxa-7- | US1161...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3C4COCC3CN(CC(F)F)C4)ncc2c(N)c1F |THB:28:27:20:22.24.23,19:20:22.24.23:26.32.27|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598148
PNG
(1H-pyrido[2,3-b][1,4]oxazin-7- | US11612606, Compo...)
Show SMILES C[C@@H]1OCC[C@H]1OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598150
PNG
((R)-8-(Oxetan-3-yl)-8- | US11612606, Compound 511a)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCC4(C3)CCN(CC4)C3COC3)ncc2c(N)c1F |r|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598153
PNG
((1r,3s)-3-Ethyl-3-hydroxycyclobutyl(8- amino-7-flu...)
Show SMILES CC[C@]1(O)C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:5.7,2.1,wD:2.2,(-7.96,-5.47,;-6.47,-5.87,;-5.38,-4.78,;-4.29,-5.87,;-4.29,-3.69,;-5.38,-2.6,;-6.47,-3.69,;-5.38,-1.06,;-4.05,-.29,;-2.71,-1.06,;-4.05,1.25,;-2.71,2.02,;-1.38,1.25,;-.05,2.02,;1.29,1.25,;2.62,2.02,;2.62,3.56,;3.96,4.33,;1.29,4.33,;1.29,5.87,;-.05,3.56,;-1.38,4.33,;-2.71,3.56,;3.96,1.25,;5.29,2.02,;6.62,1.25,;6.62,-.29,;7.96,-1.06,;7.96,-2.6,;6.62,-3.37,;5.29,-2.6,;5.29,-1.06,;3.96,-.29,;2.62,-1.06,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598155
PNG
((1r,3r)-3-(1H-Imidazol-1-yl)cyclobutyl | US1161260...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)n3ccnc3)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.62,-.81,;3.96,-.04,;5.29,-.81,;5.29,-2.35,;6.62,-3.12,;7.96,-2.35,;7.96,-.81,;6.62,-.04,;6.62,1.5,;5.29,2.27,;3.96,1.5,;2.62,2.27,;1.29,1.5,;-.04,2.27,;-1.38,1.5,;-2.71,2.27,;-4.04,1.5,;-5.38,2.27,;-5.38,3.81,;-6.71,1.5,;-6.71,-.04,;-5.62,-1.13,;-6.71,-2.21,;-7.8,-1.13,;-6.71,-3.75,;-7.96,-4.66,;-7.48,-6.12,;-5.94,-6.12,;-5.47,-4.66,;-2.71,3.81,;-1.38,4.58,;-.04,3.81,;1.29,4.58,;1.29,6.12,;2.62,3.81,;3.96,4.58,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591137
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7- f...)
Show SMILES CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O
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For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solut...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591144
PNG
((1R,2S,3R)-N-(8-amino-7-fluoro-6-(8-methyl-2,3-dih...)
Show SMILES C[C@@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591146
PNG
(US11566003, Compound 35)
Show SMILES C[C@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r|
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591155
PNG
(US11566003, Compound 111)
Show SMILES C[C@@H](NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C)c1cnn(C)c1 |r|
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591137
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7- f...)
Show SMILES CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591225
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)
Show SMILES COCCN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591240
PNG
(2-((8-amino-6-(5-amino-4- chloropyridin-3-yl)-7-fl...)
Show SMILES CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3Cl)nn2CC1=O
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591242
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)
Show SMILES CN1CC(F)c2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O
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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591244
PNG
((S)-2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-...)
Show SMILES CN1C[C@H](F)c2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O |r|
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591249
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)
Show SMILES CC(C)N1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O
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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591250
PNG
(2'-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-f...)
Show SMILES CN1CC2(CC2)c2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591252
PNG
(2-((8-amino-7-fluoro-6-(4-methyl-6- (oxazol-2-yl)p...)
Show SMILES CC1CN(C)C(=O)Cn2nc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cnc(cc3C)-c3ncco3)cc12
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591211
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)
Show SMILES Cc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(CC5COC5)C(=O)Cn4n3)ncc2c(N)c1F
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591217
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)
Show SMILES Cc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(C5CC5)C(=O)Cn4n3)ncc2c(N)c1F
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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591220
PNG
(2-((8-amino-6-(5-amino-4-ethylpyridin- 3-yl)-7-flu...)
Show SMILES CCc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(C(C)C)C(=O)Cn4n3)ncc2c(N)c1F
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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM591222
PNG
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)
Show SMILES Cc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(CC5CC5)C(=O)Cn4n3)ncc2c(N)c1F
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To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ...


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BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598249
PNG
((1s,3s)-3-(Hydroxymethyl)cyclobutyl(8- amino-7-flu...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CO)C3)ncc2c(N)c1F |r,wD:20.21,22.24,(2.55,-1.61,;3.88,-.84,;5.21,-1.61,;5.21,-3.15,;6.55,-3.92,;7.88,-3.15,;7.88,-1.61,;6.55,-.84,;6.55,.7,;5.21,1.47,;3.88,.7,;2.55,1.47,;1.21,.7,;-.12,1.47,;-1.46,.7,;-2.79,1.47,;-4.12,.7,;-5.46,1.47,;-5.46,3.01,;-6.79,.7,;-6.79,-.84,;-5.7,-1.93,;-6.79,-3.01,;-6.79,-4.55,;-5.46,-5.32,;-7.88,-1.93,;-2.79,3.01,;-1.46,3.78,;-.12,3.01,;1.21,3.78,;1.21,5.32,;2.55,3.01,;3.88,3.78,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598250
PNG
((1s,3s)-3-(Methylsulfonyl)cyclobutyl(8- | US116126...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)S(C)(=O)=O)ncc2c(N)c1F |r,wU:20.21,22.26,(2.1,-.07,;3.44,.7,;4.77,-.07,;4.77,-1.61,;6.1,-2.38,;7.44,-1.61,;7.44,-.07,;6.1,.7,;6.1,2.24,;4.77,3.01,;3.44,2.24,;2.1,3.01,;.77,2.24,;-.56,3.01,;-1.9,2.24,;-3.23,3.01,;-4.56,2.24,;-4.56,.7,;-3.23,-.07,;-5.9,-.07,;-5.9,-1.61,;-4.81,-2.69,;-5.9,-3.78,;-6.99,-2.69,;-5.9,-5.32,;-5.9,-6.86,;-4.36,-5.32,;-7.44,-5.32,;-3.23,4.55,;-1.9,5.32,;-.56,4.55,;.77,5.32,;.77,6.86,;2.1,4.55,;3.44,5.32,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598254
PNG
((1R,3s)-3-((S)-1- Hydroxyethyl)cyclobutyl(8-amino-...)
Show SMILES C[C@H](O)[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:3.2,1.1,wD:5.7,(-8,-5.32,;-6.67,-4.55,;-5.33,-5.32,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-.84,;-5.58,-1.93,;-6.67,.7,;-5.33,1.47,;-5.33,3.01,;-4,.7,;-2.67,1.47,;-1.33,.7,;,1.47,;1.33,.7,;2.67,1.47,;2.67,3.01,;4,3.78,;1.33,3.78,;1.33,5.32,;,3.01,;-1.33,3.78,;-2.67,3.01,;4,.7,;5.33,1.47,;6.67,.7,;6.67,-.84,;8,-1.61,;8,-3.15,;6.67,-3.92,;5.33,-3.15,;5.33,-1.61,;4,-.84,;2.67,-1.61,)|
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598256
PNG
((1s,3s)-3-(2-Hydroxypropan-2- yl)cyclobutyl(8-amin...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C(C)(C)O)ncc2c(N)c1F |r,wD:20.21,22.26,(2.67,-1.22,;4,-.45,;5.33,-1.22,;5.33,-2.76,;6.67,-3.53,;8,-2.76,;8,-1.22,;6.67,-.45,;6.67,1.09,;5.33,1.86,;4,1.09,;2.67,1.86,;1.33,1.09,;,1.86,;-1.33,1.09,;-2.67,1.86,;-4,1.09,;-5.33,1.86,;-5.33,3.4,;-6.67,1.09,;-6.67,-.45,;-7.76,-1.54,;-6.67,-2.63,;-5.58,-1.54,;-6.67,-4.17,;-5.33,-4.94,;-8,-4.94,;-6.67,-5.71,;-2.67,3.4,;-1.33,4.17,;,3.4,;1.33,4.17,;1.33,5.71,;2.67,3.4,;4,4.17,)|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598257
PNG
((1R,5S,9s)-7-(Oxetan-3-yl)-3-oxa-7- | US11612606, ...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3C4COCC3CN(C4)C3COC3)ncc2c(N)c1F |THB:29:27:20:22.24.23,19:20:28.27.26:22.24.23|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598258
PNG
((1r,3r)-3-Methoxycyclobutyl(8-amino-7- | US1161260...)
Show SMILES CO[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:4.6,wD:2.1,(-8,-5.32,;-6.67,-4.55,;-6.67,-3.01,;-5.58,-1.93,;-6.67,-.84,;-7.76,-1.93,;-6.67,.7,;-5.33,1.47,;-5.33,3.01,;-4,.7,;-2.67,1.47,;-1.33,.7,;,1.47,;1.33,.7,;2.67,1.47,;2.67,3.01,;4,3.78,;1.33,3.78,;1.33,5.32,;,3.01,;-1.33,3.78,;-2.67,3.01,;4,.7,;5.33,1.47,;6.67,.7,;6.67,-.84,;8,-1.61,;8,-3.15,;6.67,-3.92,;5.33,-3.15,;5.33,-1.61,;4,-.84,;2.67,-1.61,)|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598260
PNG
((1r,3r)-3-(Difluoromethyl)cyclobutyl(8- amino-7-fl...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(F)F)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.67,-1.61,;4,-.84,;5.33,-1.61,;5.33,-3.15,;6.67,-3.92,;8,-3.15,;8,-1.61,;6.67,-.84,;6.67,.7,;5.33,1.47,;4,.7,;2.67,1.47,;1.33,.7,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-5.33,1.47,;-5.33,3.01,;-6.67,.7,;-6.67,-.84,;-5.58,-1.93,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-4.55,;-8,-5.32,;-5.33,-5.32,;-2.67,3.01,;-1.33,3.78,;,3.01,;1.33,3.78,;1.33,5.32,;2.67,3.01,;4,3.78,)|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598264
PNG
(7-Azaspiro[3.5]nonan-2-yl(8-amino-7- fluoro-6-(8-m...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CCNCC4)ncc2c(N)c1F
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0130n/an/an/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598274
PNG
(S-(Tetrahydro-2H-pyran-4-yl)(8-amino- 7-fluoro-6-(...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)SC3CCOCC3)ncc2c(N)c1F
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0130n/an/an/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598275
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)NC3CCOCC3)ncc2c(N)c1F
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0130n/an/an/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598276
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)NC3CC3)ncc2c(N)c1F
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0130n/an/an/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
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