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Patent code US10822342

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471694
PNG
(US10822342, Compound 2)
Show SMILES COCCCn1cc(-c2nc(N)nc3cn(C)nc23)c2cc(ncc12)C#CC(C)(O)C1CC1
Show InChI InChI=1S/C24H27N7O2/c1-24(32,15-5-6-15)8-7-16-11-17-18(13-31(9-4-10-33-3)20(17)12-26-16)21-22-19(14-30(2)29-22)27-23(25)28-21/h11-15,32H,4-6,9-10H2,1-3H3,(H2,25,27)
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471698
PNG
(US10822342, Compound 6)
Show SMILES CCN1CCC(C1)n1cc(-c2nc(N)nc3cn(CC)nc23)c2cc(C#CC(C)(C)O)c(F)cc12
Show InChI InChI=1S/C26H30FN7O/c1-5-32-10-8-17(13-32)34-14-19(23-24-21(29-25(28)30-23)15-33(6-2)31-24)18-11-16(7-9-26(3,4)35)20(27)12-22(18)34/h11-12,14-15,17,35H,5-6,8,10,13H2,1-4H3,(H2,28,29)
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471700
PNG
(US10822342, Compound 8)
Show SMILES COCCCn1cc(-c2nc(N)nc3cn(nc23)C2CC2)c2cc(C#CC(C)(O)C3CC3)c(F)cc12
Show InChI InChI=1S/C27H29FN6O2/c1-27(35,17-4-5-17)9-8-16-12-19-20(14-33(10-3-11-36-2)23(19)13-21(16)28)24-25-22(30-26(29)31-24)15-34(32-25)18-6-7-18/h12-15,17-18,35H,3-7,10-11H2,1-2H3,(H2,29,30)
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471693
PNG
(US10822342, Compound 1)
Show SMILES COCCCn1cc(-c2nc(C)nc3cn(C)nc23)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C23H26N6O2/c1-15-25-19-14-28(4)27-22(19)21(26-15)18-13-29(9-6-10-31-5)20-12-24-16(11-17(18)20)7-8-23(2,3)30/h11-14,30H,6,9-10H2,1-5H3
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471701
PNG
(US10822342, Compound 9)
Show SMILES CCn1cc2nc(N)nc(-c3cn(CCCOC)c4cnc(cc34)C#CC(C)(O)C3CC3)c2n1
Show InChI InChI=1S/C25H29N7O2/c1-4-32-15-20-23(30-32)22(29-24(26)28-20)19-14-31(10-5-11-34-3)21-13-27-17(12-18(19)21)8-9-25(2,33)16-6-7-16/h12-16,33H,4-7,10-11H2,1-3H3,(H2,26,28)
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471699
PNG
(US10822342, Compound 7)
Show SMILES CCn1cc2nc(N)nc(-c3cn(C4CN(CC5CC5)C4)c4cc(F)c(cc34)C#CC(C)(C)O)c2n1
Show InChI InChI=1S/C27H30FN7O/c1-4-34-15-22-25(32-34)24(31-26(29)30-22)20-14-35(18-12-33(13-18)11-16-5-6-16)23-10-21(28)17(9-19(20)23)7-8-27(2,3)36/h9-10,14-16,18,36H,4-6,11-13H2,1-3H3,(H2,29,30)
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471696
PNG
(US10822342, Compound 4)
Show SMILES CCn1cc2nc(N)nc(-c3cn(CCCOC)c4cc(F)c(cc34)C#CC(C)(C)O)c2n1
Show InChI InChI=1S/C24H27FN6O2/c1-5-31-14-19-22(29-31)21(28-23(26)27-19)17-13-30(9-6-10-33-4)20-12-18(25)15(11-16(17)20)7-8-24(2,3)32/h11-14,32H,5-6,9-10H2,1-4H3,(H2,26,27)
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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471704
PNG
(US10822342, Compound 12)
Show SMILES CCn1cc2nc(N)nc(-c3cn(C4CN(C4)C4CC4)c4cnc(cc34)C#CC(C)(C)O)c2n1
Show InChI InChI=1S/C25H28N8O/c1-4-32-14-20-23(30-32)22(29-24(26)28-20)19-13-33(17-11-31(12-17)16-5-6-16)21-10-27-15(9-18(19)21)7-8-25(2,3)34/h9-10,13-14,16-17,34H,4-6,11-12H2,1-3H3,(H2,26,28)
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471697
PNG
(US10822342, Compound 5)
Show SMILES CCN1CCC(C1)n1cc(-c2nc(N)nc3cn(C)nc23)c2cc(C#CC(C)(C)O)c(F)cc12
Show InChI InChI=1S/C25H28FN7O/c1-5-32-9-7-16(12-32)33-13-18(22-23-20(14-31(4)30-23)28-24(27)29-22)17-10-15(6-8-25(2,3)34)19(26)11-21(17)33/h10-11,13-14,16,34H,5,7,9,12H2,1-4H3,(H2,27,28)
PDB

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n/an/a 112n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471703
PNG
(US10822342, Compound 11)
Show SMILES CCn1cc2nc(N)nc(-c3cn(C4CN(CC5CC5)C4)c4cnc(cc34)C#CC(C)(C)O)c2n1
Show InChI InChI=1S/C26H30N8O/c1-4-33-15-21-24(31-33)23(30-25(27)29-21)20-14-34(18-12-32(13-18)11-16-5-6-16)22-10-28-17(9-19(20)22)7-8-26(2,3)35/h9-10,14-16,18,35H,4-6,11-13H2,1-3H3,(H2,27,29)
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n/an/a 143n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471702
PNG
(US10822342, Compound 10)
Show SMILES CCn1cc2nc(N)nc(-c3cn(C4CN(C4)C4CC4)c4cnc(cc34)C#CC(C)(O)C3CC3)c2n1
Show InChI InChI=1S/C27H30N8O/c1-3-34-15-22-25(32-34)24(31-26(28)30-22)21-14-35(19-12-33(13-19)18-6-7-18)23-11-29-17(10-20(21)23)8-9-27(2,36)16-4-5-16/h10-11,14-16,18-19,36H,3-7,12-13H2,1-2H3,(H2,28,30)
PDB

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n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM471695
PNG
(US10822342, Compound 3)
Show SMILES CCn1cc2nc(N)nc(-c3cn(CCCOC)c4cc(F)c(cc34)C#CC(C)(O)C3CC3)c2n1
Show InChI InChI=1S/C26H29FN6O2/c1-4-33-15-21-24(31-33)23(30-25(28)29-21)19-14-32(10-5-11-35-3)22-13-20(27)16(12-18(19)22)8-9-26(2,34)17-6-7-17/h12-15,17,34H,4-7,10-11H2,1-3H3,(H2,28,29)
PDB

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n/an/a 992n/an/an/an/an/an/a


TBA

Assay Description
NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreenŽ (αscreen) format (Perkin Elmer). All compounds tested were dissolv...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%