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Compile Data Set for Download or QSAR

Found 11239 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 1'   
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))
BDBM598308
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES COC1CCC(C1)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C
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<0.0130n/an/an/an/an/an/an/an/a


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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))
BDBM598309
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)
Show SMILES CO[C@@H]1CC[C@H](C1)NC(=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))
BDBM598310
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)
Show SMILES CO[C@H]1CC[C@@H](C1)NC(=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))
BDBM598311
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES CO[C@@H]1CC[C@@H](C1)NC(=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))
BDBM598312
PNG
(1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@H](F)C3)ncc2c(N)c1F |r,wU:20.21,wD: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))
BDBM598313
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES CO[C@H]1C[C@@H](C1)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:4.6,wD:2.1,(-4.79,-6.48,;-6.12,-5.71,;-6.12,-4.17,;-5.03,-3.08,;-6.12,-1.99,;-7.21,-3.08,;-6.12,-.45,;-4.79,.32,;-3.46,-.45,;-4.79,1.86,;-3.46,2.63,;-2.12,1.86,;-.79,2.63,;.54,1.86,;1.88,2.63,;1.88,4.17,;3.21,4.94,;.54,4.94,;.54,6.48,;-.79,4.17,;-2.12,4.94,;-3.46,4.17,;3.21,1.86,;4.55,2.63,;5.88,1.86,;5.88,.32,;7.21,-.45,;7.21,-1.99,;5.88,-2.76,;4.55,-1.99,;4.55,-.45,;3.21,.32,;1.88,-.45,)|
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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))
BDBM598314
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@H]3F)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))
BDBM598315
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES CC1CC1NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C
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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))
BDBM598316
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES C[C@@H]1C[C@@H]1NC(=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))
BDBM598317
PNG
(1-(8-Amino-7-fluoro-6-(4-methyl- 5,6,7,8-tetrahydr...)
Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)NC3CC4(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))
BDBM598318
PNG
(1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@@]4(C3)CCOC4)ncc2c(N)c1F |r,wD:20.21,22.23,(1.96,-.42,;3.29,.35,;4.62,-.42,;4.62,-1.96,;5.96,-2.73,;7.29,-1.96,;7.29,-.42,;5.96,.35,;5.96,1.89,;4.62,2.66,;3.29,1.89,;1.96,2.66,;.62,1.89,;-.71,2.66,;-2.04,1.89,;-3.38,2.66,;-4.71,1.89,;-4.71,.35,;-3.38,-.42,;-6.05,-.42,;-6.05,-1.96,;-7.13,-3.05,;-6.05,-4.14,;-4.96,-3.05,;-7.29,-5.04,;-6.82,-6.51,;-5.28,-6.51,;-4.8,-5.04,;-3.38,4.2,;-2.04,4.97,;-.71,4.2,;.62,4.97,;.62,6.51,;1.96,4.2,;3.29,4.97,)|
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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))
BDBM598319
PNG
(1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@@]4(C3)CCOC4)ncc2c(N)c1F |r,wU:20.21,22.24,(1.96,-.42,;3.29,.35,;4.62,-.42,;4.62,-1.96,;5.96,-2.73,;7.29,-1.96,;7.29,-.42,;5.96,.35,;5.96,1.89,;4.62,2.66,;3.29,1.89,;1.96,2.66,;.62,1.89,;-.71,2.66,;-2.04,1.89,;-3.38,2.66,;-4.71,1.89,;-4.71,.35,;-3.38,-.42,;-6.05,-.42,;-6.05,-1.96,;-4.96,-3.05,;-6.05,-4.14,;-7.13,-3.05,;-7.29,-5.04,;-6.82,-6.51,;-5.28,-6.51,;-4.8,-5.04,;-3.38,4.2,;-2.04,4.97,;-.71,4.2,;.62,4.97,;.62,6.51,;1.96,4.2,;3.29,4.97,)|
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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))
BDBM598322
PNG
(1-(8-amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)
Show SMILES CC(C)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C
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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))
BDBM598323
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@H]3CCOC[C@H]3F)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))
BDBM598323
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@H]3CCOC[C@H]3F)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))
BDBM598325
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@@H]3C[C@H](F)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))
BDBM598329
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)
Show SMILES CO[C@@H]1COCC[C@@H]1NC(=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))
BDBM598031
PNG
((R)-Tetrahydrofuran-3-yl(8-amino-7- | US11612606, ...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCOC3)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))
BDBM598220
PNG
((1s,3s)-3-hydroxycyclobutyl(8-amino-7- | US1161260...)
Show SMILES Cc1c2NCCCc2ncc1-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))
BDBM598222
PNG
(US11612606, Compound 555a | trans-4-Methyltetrahyd...)
Show SMILES CCc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3COCC3C)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))
BDBM598223
PNG
((3R,4S)-4-Methyltetrahydrofuran-3-yl(8- amino-6-(8...)
Show SMILES CCc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3COC[C@@H]3C)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))
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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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598226
PNG
((1s,3s)-3-Cyanocyclobutyl(8-amino-6- | US11612606,...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc(N)c2cnc(NC(=O)O[C@H]3C[C@H](C3)C#N)cc2c1 |r,wU:23.24,25.29,(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,;1.88,4.55,;.54,5.32,;.54,6.86,;-.79,4.55,;-2.12,5.32,;-3.46,4.55,;-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,;-2.12,2.24,;-.79,3.01,;.54,2.24,)|
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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))
BDBM598056
PNG
(2-Methyl-2-azaspiro[3.3]heptan-6-yl(8- amino-7-flu...)
Show SMILES CN1CC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1
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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))
BDBM598057
PNG
((R)-1-Acetylpyrrolidin-3-yl(8-amino-7- | US1161260...)
Show SMILES CC(=O)N1CC[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))
BDBM598059
PNG
(1-(2,2,2-Trifluoroethyl)azetidin-3-yl(8- amino-7-f...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CN(CC(F)(F)F)C3)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))
BDBM598060
PNG
(1-(Oxetan-3-yl)piperidin-4-yl(8-amino- 7-fluoro-6-...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CCN(CC3)C3COC3)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))
BDBM598062
PNG
(7-Methyl-7-azaspiro[3.5]nonan-2-yl(8- amino-7-fluo...)
Show SMILES CN1CCC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3CCCNc3c2C)CC1
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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))
BDBM598063
PNG
(2-Acetyl-2-azaspiro[3.3]heptan-6-yl(8- amino-7-flu...)
Show SMILES CC(=O)N1CC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1
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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))
BDBM598064
PNG
(2-Methyl-2-azaspiro[3.3]heptan-6-yl(8- amino-7-flu...)
Show SMILES CN1CC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3CCCNc3c2C)C1
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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))
BDBM598065
PNG
(1-Acetylazetidin-3-yl(8-amino-7-fluoro- 6-(8-methy...)
Show SMILES CC(=O)N1CC(C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C
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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))
BDBM598066
PNG
(7-Methyl-7-azaspiro[3.5]nonan-2-yl(8- amino-7-fluo...)
Show SMILES CN1CCC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)CC1
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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))
BDBM598067
PNG
(6-Methyl-6-azaspiro[3.4]octan-2-yl(8- amino-7-fluo...)
Show SMILES CN1CCC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 |(-5.17,-6.02,;-5.94,-4.69,;-7.48,-4.69,;-7.96,-3.22,;-6.71,-2.32,;-7.8,-1.23,;-6.71,-.14,;-5.62,-1.23,;-6.71,1.4,;-5.38,2.17,;-5.38,3.71,;-4.04,1.4,;-2.71,2.17,;-1.38,1.4,;-.04,2.17,;1.29,1.4,;2.62,2.17,;2.62,3.71,;3.96,4.48,;1.29,4.48,;1.29,6.02,;-.04,3.71,;-1.38,4.48,;-2.71,3.71,;3.96,1.4,;5.29,2.17,;6.62,1.4,;6.62,-.14,;7.96,-.91,;7.96,-2.45,;6.62,-3.22,;5.29,-2.45,;5.29,-.91,;3.96,-.14,;2.62,-.91,;-5.47,-3.22,)|
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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))
BDBM598069
PNG
(7-(Oxetan-3-yl)-7-azaspiro[3.5]nonan-2- yl(8-amino...)
Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CCN(CC4)C3COC3)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))
BDBM598071
PNG
((1R,5S,6r)-3-Methyl-3- | US11612606, Compound 432a)
Show SMILES CN1C[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))
BDBM598072
PNG
((cis)-3-Fluoro-1-methylpiperidin-4-yl(8- amino-7-f...)
Show SMILES CN1CCC(OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C(F)C1
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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))
BDBM598073
PNG
(1-(2,2-Difluoroethypazetidin-3-yl(8- amino-7-fluor...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CN(CC(F)F)C3)ncc2c(N)c1F
PDB

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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))
BDBM598076
PNG
((3S,4R)-1-Acetyl-3-fluoropiperidin-4-yl | US116126...)
Show SMILES CC(=O)N1CC[C@H](OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C(F)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))
BDBM598078
PNG
((1R,5S,9s)-7-Methyl-3-oxa-7- | US11612606, Compoun...)
Show SMILES CN1CC2COC[C@H](C1)C2OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,TLB:0:1:9:6.4.5,THB:10:9:6.4.5:2.8.1|
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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))
BDBM598082
PNG
((trans)-4-Methyltetrahydrofuran-3-yl(8- | US116126...)
Show SMILES C[C@H]1COC[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))
BDBM598083
PNG
(US11612606, Compound 441b | amino-7-fluoro-6-(8-me...)
Show SMILES C[C@@H]1COCC1OC(=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))
BDBM598090
PNG
(2-(Oxetan-3-yl)-2-azaspiro[3.3]heptan-6- yl(8-amin...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CN(C4)C3COC3)ncc2c(N)c1F
PDB

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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))
BDBM598091
PNG
((S)-1-Methyl-5-oxopyrrolidin-3-yl(8- | US11612606,...)
Show SMILES CCc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CN(C)C(=O)C3)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))
BDBM598092
PNG
(US11612606, Compound 444b | amino-6-(8-ethyl-2,3-d...)
Show SMILES CCc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CN(C)C(=O)C3)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))
BDBM598093
PNG
((+1-)-trans-3-Fluoro-1-(oxetan-3-yl)piperidin-4-yl...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CCN(C[C@@H]3F)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))
BDBM598095
PNG
(US11612606, Compound 445d | yl(8-amino-7-fluoro-6-...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCN(C[C@@H]3F)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))
BDBM598096
PNG
((1r,3r)-3-(Dimethylamino)cyclobutyl(8- | US1161260...)
Show SMILES CN(C)[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:5.7,wD:3.2,(-5.33,-5.32,;-6.67,-4.55,;-8,-5.32,;-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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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM598099
PNG
(US11612606, Compound 451b | yl)methyl(8-amino-7-fl...)
Show SMILES CN1CC[C@@](F)(COC(=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))
BDBM598284
PNG
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)NC3CC4(C3)CN(CC(F)(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))
BDBM598285
PNG
(1-(2-Acetyl-2-azaspiro[3.3]heptan-6-yl)- 3-(8-amin...)
Show SMILES CC(=O)N1CC2(CC(C2)NC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1
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BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair
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