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Patent code US9433622

Compile Data Set for Download or QSAR

Found 330 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245931
PNG
(US9433622, DMX- 3)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C24H27N9/c1-31-10-12-32(13-11-31)22-5-4-20(17-27-22)29-24-26-7-6-21(30-24)19-14-18(15-25)23(28-16-19)33-8-2-3-9-33/h4-7,14,16-17H,2-3,8-13H2,1H3,(H,26,29,30)
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Case Western Reserve University

US Patent


Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245956
PNG
(US9433622, DMX- 28)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1
Show InChI InChI=1S/C27H28F2N8O/c1-36-9-7-22(8-10-36)33-26(38)17-2-4-21(5-3-17)34-27-32-15-23(29)24(35-27)19-12-18(13-30)25(31-14-19)37-11-6-20(28)16-37/h2-5,12,14-15,20,22H,6-11,16H2,1H3,(H,33,38)(H,32,34,35)/t20-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246005
PNG
(US9433622, DMX- 102)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1
Show InChI InChI=1S/C24H24FN9O/c25-18-4-7-34(13-18)23-16(10-26)9-17(11-30-23)21-3-5-28-24(32-21)31-19-1-2-20(29-12-19)14-33-8-6-27-22(35)15-33/h1-3,5,9,11-12,18H,4,6-8,13-15H2,(H,27,35)(H,28,31,32)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246032
PNG
(US9433622, DMX- 37)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1
Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246072
PNG
(US9433622, DMX- 58)
Show SMILES N#Cc1nc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H25N7O/c25-17-22-23(31-11-1-2-12-31)8-7-20(28-22)21-9-10-26-24(29-21)27-18-3-5-19(6-4-18)30-13-15-32-16-14-30/h3-10H,1-2,11-16H2,(H,26,27,29)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246087
PNG
(US9433622, DMX- 153)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C24H23F2N7O/c25-16-7-8-33(15-16)22-6-5-20(30-21(22)13-27)23-19(26)14-28-24(31-23)29-17-1-3-18(4-2-17)32-9-11-34-12-10-32/h1-6,14,16H,7-12,15H2,(H,28,29,31)/t16-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246089
PNG
(US9433622, DMX- 165)
Show SMILES N#Cc1nc(ccc1N1CCC2(COC2)C1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1
Show InChI InChI=1S/C26H28N8O2/c27-13-23-24(34-8-6-26(16-34)17-36-18-26)4-3-21(31-23)22-5-7-28-25(32-22)30-19-1-2-20(29-14-19)15-33-9-11-35-12-10-33/h1-5,7,14H,6,8-12,15-18H2,(H,28,30,32)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245964
PNG
(US9433622, DMX- 61)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C23H23FN8O/c24-18-3-6-32(15-18)22-16(13-25)11-17(14-28-22)20-2-5-27-23(30-20)29-19-1-4-26-21(12-19)31-7-9-33-10-8-31/h1-2,4-5,11-12,14,18H,3,6-10,15H2,(H,26,27,29,30)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246002
PNG
(US9433622, DMX- 99)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(CN3CCOCC3)c2)n1
Show InChI InChI=1S/C24H25FN8O/c25-19-3-6-33(15-19)23-17(13-26)11-18(14-29-23)22-2-5-28-24(31-22)30-20-1-4-27-21(12-20)16-32-7-9-34-10-8-32/h1-2,4-5,11-12,14,19H,3,6-10,15-16H2,(H,27,28,30,31)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246039
PNG
(US9433622, DMX- 44)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cnc(N3C4CCC3CC(O)C4)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N8O/c1-28-12-15(11-25-28)26-21-23-5-4-19(27-21)14-6-13(9-22)20(24-10-14)29-16-2-3-17(29)8-18(30)7-16/h4-6,10-12,16-18,30H,2-3,7-8H2,1H3,(H,23,26,27)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245964
PNG
(US9433622, DMX- 61)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C23H23FN8O/c24-18-3-6-32(15-18)22-16(13-25)11-17(14-28-22)20-2-5-27-23(30-20)29-19-1-4-26-21(12-19)31-7-9-33-10-8-31/h1-2,4-5,11-12,14,18H,3,6-10,15H2,(H,26,27,29,30)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245983
PNG
(US9433622, DMX- 80)
Show SMILES F[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1
Show InChI InChI=1S/C24H24F2N8/c25-18-4-7-33(13-18)15-21-2-1-20(12-29-21)31-24-28-6-3-22(32-24)17-9-16(10-27)23(30-11-17)34-8-5-19(26)14-34/h1-3,6,9,11-12,18-19H,4-5,7-8,13-15H2,(H,28,31,32)/t18-,19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245981
PNG
(US9433622, DMX- 78)
Show SMILES C[C@H]1COCCN1Cc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1
Show InChI InChI=1S/C25H27FN8O/c1-17-16-35-9-8-33(17)15-22-11-21(2-5-28-22)31-25-29-6-3-23(32-25)19-10-18(12-27)24(30-13-19)34-7-4-20(26)14-34/h2-3,5-6,10-11,13,17,20H,4,7-9,14-16H2,1H3,(H,28,29,31,32)/t17-,20-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245992
PNG
(US9433622, DMX- 89)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1nc(Nc2ccc(CN3CCOCC3)nc2)ncc1F
Show InChI InChI=1S/C24H24F2N8O/c25-18-3-4-34(14-18)23-16(10-27)9-17(11-29-23)22-21(26)13-30-24(32-22)31-19-1-2-20(28-12-19)15-33-5-7-35-8-6-33/h1-2,9,11-13,18H,3-8,14-15H2,(H,30,31,32)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246065
PNG
(US9433622, DMX- 136)
Show SMILES CC(C)C(Nc1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O
Show InChI InChI=1S/C25H29N9O2/c1-16(2)22(23(27)35)33-24-17(12-26)11-18(13-30-24)21-5-6-28-25(32-21)31-19-3-4-20(29-14-19)15-34-7-9-36-10-8-34/h3-6,11,13-14,16,22H,7-10,15H2,1-2H3,(H2,27,35)(H,30,33)(H,28,31,32)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246071
PNG
(US9433622, DMX- 57)
Show SMILES O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H25N7O2/c25-15-22-23(31-10-8-19(32)16-31)6-5-20(28-22)21-7-9-26-24(29-21)27-17-1-3-18(4-2-17)30-11-13-33-14-12-30/h1-7,9,19,32H,8,10-14,16H2,(H,26,27,29)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245937
PNG
(US9433622, DMX- 9)
Show SMILES CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1S/C25H28FN9/c1-34-9-6-20(7-10-34)31-23-3-2-21(15-29-23)32-25-28-8-4-22(33-25)18-12-17(13-27)24(30-14-18)35-11-5-19(26)16-35/h2-4,8,12,14-15,19-20H,5-7,9-11,16H2,1H3,(H,29,31)(H,28,32,33)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245953
PNG
(US9433622, DMX- 25)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1
Show InChI InChI=1S/C23H24FN9/c24-18-4-8-33(15-18)22-16(12-25)11-17(13-29-22)20-3-5-27-23(31-20)30-19-1-2-21(28-14-19)32-9-6-26-7-10-32/h1-3,5,11,13-14,18,26H,4,6-10,15H2,(H,27,30,31)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245966
PNG
(US9433622, DMX- 63)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C17H15FN8/c18-13-2-4-26(10-13)16-11(6-19)5-12(7-21-16)15-1-3-20-17(25-15)24-14-8-22-23-9-14/h1,3,5,7-9,13H,2,4,10H2,(H,22,23)(H,20,24,25)/t13-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246029
PNG
(US9433622, DMX- 126)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc3CNCc3c2)n1
Show InChI InChI=1S/C22H20FN7/c23-18-4-6-30(13-18)21-15(9-24)7-17(12-27-21)20-3-5-26-22(29-20)28-19-2-1-14-10-25-11-16(14)8-19/h1-3,5,7-8,12,18,25H,4,6,10-11,13H2,(H,26,28,29)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246030
PNG
(US9433622, DMX- 127)
Show SMILES COCCN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1
Show InChI InChI=1S/C25H26FN7O/c1-34-9-8-32-14-17-2-3-22(11-20(17)15-32)30-25-28-6-4-23(31-25)19-10-18(12-27)24(29-13-19)33-7-5-21(26)16-33/h2-4,6,10-11,13,21H,5,7-9,14-16H2,1H3,(H,28,30,31)/t21-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246043
PNG
(US9433622, DMX- 48)
Show SMILES OCCNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1
Show InChI InChI=1S/C23H22FN7O2/c24-18-6-9-31(14-18)21-16(12-25)11-17(13-28-21)20-5-7-27-23(30-20)29-19-3-1-15(2-4-19)22(33)26-8-10-32/h1-5,7,11,13,18,32H,6,8-10,14H2,(H,26,33)(H,27,29,30)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246077
PNG
(US9433622, DMX- 143)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1
Show InChI InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245952
PNG
(US9433622, DMX- 24)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1S/C24H26FN9/c1-32-8-10-33(11-9-32)22-3-2-20(15-28-22)30-24-27-6-4-21(31-24)18-12-17(13-26)23(29-14-18)34-7-5-19(25)16-34/h2-4,6,12,14-15,19H,5,7-11,16H2,1H3,(H,27,30,31)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246005
PNG
(US9433622, DMX- 102)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1
Show InChI InChI=1S/C24H24FN9O/c25-18-4-7-34(13-18)23-16(10-26)9-17(11-30-23)21-3-5-28-24(32-21)31-19-1-2-20(29-12-19)14-33-8-6-27-22(35)15-33/h1-3,5,9,11-12,18H,4,6-8,13-15H2,(H,27,35)(H,28,31,32)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246072
PNG
(US9433622, DMX- 58)
Show SMILES N#Cc1nc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H25N7O/c25-17-22-23(31-11-1-2-12-31)8-7-20(28-22)21-9-10-26-24(29-21)27-18-3-5-19(6-4-18)30-13-15-32-16-14-30/h3-10H,1-2,11-16H2,(H,26,27,29)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246076
PNG
(US9433622, DMX- 142)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1
Show InChI InChI=1S/C25H26FN9O2/c26-17-6-8-35(15-17)22-3-2-19(31-21(22)13-27)20-5-7-28-25(32-20)30-18-1-4-23(29-14-18)33-24(36)16-34-9-11-37-12-10-34/h1-5,7,14,17H,6,8-12,15-16H2,(H,28,30,32)(H,29,33,36)/t17-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246087
PNG
(US9433622, DMX- 153)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C24H23F2N7O/c25-16-7-8-33(15-16)22-6-5-20(30-21(22)13-27)23-19(26)14-28-24(31-23)29-17-1-3-18(4-2-17)32-9-11-34-12-10-32/h1-6,14,16H,7-12,15H2,(H,28,29,31)/t16-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246092
PNG
(US9433622, DMX- 154)
Show SMILES CN(C)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H23N7O/c1-28(2)21-8-7-18(26-20(21)15-23)19-9-10-24-22(27-19)25-16-3-5-17(6-4-16)29-11-13-30-14-12-29/h3-10H,11-14H2,1-2H3,(H,24,25,27)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245952
PNG
(US9433622, DMX- 24)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1S/C24H26FN9/c1-32-8-10-33(11-9-32)22-3-2-20(15-28-22)30-24-27-6-4-21(31-24)18-12-17(13-26)23(29-14-18)34-7-5-19(25)16-34/h2-4,6,12,14-15,19H,5,7-11,16H2,1H3,(H,27,30,31)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245970
PNG
(US9433622, DMX- 67)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NCCN3CCOCC3)nc2)n1
Show InChI InChI=1S/C25H28FN9O/c26-20-4-7-35(17-20)24-18(14-27)13-19(15-31-24)22-3-5-29-25(33-22)32-21-1-2-23(30-16-21)28-6-8-34-9-11-36-12-10-34/h1-3,5,13,15-16,20H,4,6-12,17H2,(H,28,30)(H,29,32,33)/t20-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245971
PNG
(US9433622, DMX- 68)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1
Show InChI InChI=1S/C24H25FN8O/c25-19-4-6-33(15-19)23-17(12-26)11-18(13-29-23)22-3-5-27-24(31-22)30-20-1-2-21(28-14-20)16-32-7-9-34-10-8-32/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,27,30,31)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246016
PNG
(US9433622, DMX- 112)
Show SMILES F[C@@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1
Show InChI InChI=1S/C25H26FN9O2/c26-19-4-6-35(15-19)24-17(12-27)11-18(13-30-24)21-3-5-28-25(32-21)31-20-1-2-22(29-14-20)33-23(36)16-34-7-9-37-10-8-34/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,28,31,32)(H,29,33,36)/t19-/m1/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246083
PNG
(US9433622, DMX- 149)
Show SMILES C[C@H]1COCCN1Cc1ccc(Nc2nccc(n2)-c2cc(C#N)c(N3CC[C@H](F)C3)c(n2)C#N)cn1
Show InChI InChI=1S/C26H26FN9O/c1-17-16-37-9-8-35(17)15-21-3-2-20(13-31-21)32-26-30-6-4-22(34-26)23-10-18(11-28)25(24(12-29)33-23)36-7-5-19(27)14-36/h2-4,6,10,13,17,19H,5,7-9,14-16H2,1H3,(H,30,32,34)/t17-,19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246084
PNG
(US9433622, DMX- 150)
Show SMILES F[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(N4CC[C@H](F)C4)c(n3)C#N)cn2)C1
Show InChI InChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32)/t16-,17-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245933
PNG
(US9433622, DMX- 5)
Show SMILES N#Cc1cc(cnc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H25N7O/c25-16-18-15-19(17-27-23(18)31-9-1-2-10-31)22-7-8-26-24(29-22)28-20-3-5-21(6-4-20)30-11-13-32-14-12-30/h3-8,15,17H,1-2,9-14H2,(H,26,28,29)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246033
PNG
(US9433622, DMX- 38)
Show SMILES OC[C@@H](O)Cn1cc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C20H22N8O2/c21-8-14-7-15(9-23-19(14)27-5-1-2-6-27)18-3-4-22-20(26-18)25-16-10-24-28(11-16)12-17(30)13-29/h3-4,7,9-11,17,29-30H,1-2,5-6,12-13H2,(H,22,25,26)/t17-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245958
PNG
(US9433622, DMX- 30)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)cc2)n1
Show InChI InChI=1S/C25H26FN7O/c26-21-6-8-33(17-21)24-19(14-27)13-20(15-29-24)23-5-7-28-25(31-23)30-22-3-1-18(2-4-22)16-32-9-11-34-12-10-32/h1-5,7,13,15,21H,6,8-12,16-17H2,(H,28,30,31)/t21-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245979
PNG
(US9433622, DMX- 76)
Show SMILES CN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1
Show InChI InChI=1S/C23H22FN7/c1-30-12-15-2-3-20(9-18(15)13-30)28-23-26-6-4-21(29-23)17-8-16(10-25)22(27-11-17)31-7-5-19(24)14-31/h2-4,6,8-9,11,19H,5,7,12-14H2,1H3,(H,26,28,29)/t19-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245961
PNG
(US9433622, DMX- 33)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnn(c2)C2CCOCC2)n1
Show InChI InChI=1S/C22H23FN8O/c23-17-2-6-30(13-17)21-15(10-24)9-16(11-26-21)20-1-5-25-22(29-20)28-18-12-27-31(14-18)19-3-7-32-8-4-19/h1,5,9,11-12,14,17,19H,2-4,6-8,13H2,(H,25,28,29)/t17-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246029
PNG
(US9433622, DMX- 126)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc3CNCc3c2)n1
Show InChI InChI=1S/C22H20FN7/c23-18-4-6-30(13-18)21-15(9-24)7-17(12-27-21)20-3-5-26-22(29-20)28-19-2-1-14-10-25-11-16(14)8-19/h1-3,5,7-8,12,18,25H,4,6,10-11,13H2,(H,26,28,29)/t18-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246094
PNG
(US9433622, DMX- 156)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1
Show InChI InChI=1S/C24H24FN9O/c25-16-6-9-34(13-16)22-4-3-19(31-21(22)11-26)20-5-7-28-24(32-20)30-17-1-2-18(29-12-17)14-33-10-8-27-23(35)15-33/h1-5,7,12,16H,6,8-10,13-15H2,(H,27,35)(H,28,30,32)/t16-/m0/s1
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245931
PNG
(US9433622, DMX- 3)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C24H27N9/c1-31-10-12-32(13-11-31)22-5-4-20(17-27-22)29-24-26-7-6-21(30-24)19-14-18(15-25)23(28-16-19)33-8-2-3-9-33/h4-7,14,16-17H,2-3,8-13H2,1H3,(H,26,29,30)
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Case Western Reserve University

US Patent


Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


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More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245956
PNG
(US9433622, DMX- 28)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1
Show InChI InChI=1S/C27H28F2N8O/c1-36-9-7-22(8-10-36)33-26(38)17-2-4-21(5-3-17)34-27-32-15-23(29)24(35-27)19-12-18(13-30)25(31-14-19)37-11-6-20(28)16-37/h2-5,12,14-15,20,22H,6-11,16H2,1H3,(H,33,38)(H,32,34,35)/t20-/m0/s1
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Case Western Reserve University

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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245958
PNG
(US9433622, DMX- 30)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)cc2)n1
Show InChI InChI=1S/C25H26FN7O/c26-21-6-8-33(17-21)24-19(14-27)13-20(15-29-24)23-5-7-28-25(31-23)30-22-3-1-18(2-4-22)16-32-9-11-34-12-10-32/h1-5,7,13,15,21H,6,8-12,16-17H2,(H,28,30,31)/t21-/m0/s1
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Case Western Reserve University

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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245975
PNG
(US9433622, DMX- 72)
Show SMILES COCCNc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1
Show InChI InChI=1S/C22H23FN8O/c1-32-9-7-26-20-11-18(2-5-25-20)29-22-27-6-3-19(30-22)16-10-15(12-24)21(28-13-16)31-8-4-17(23)14-31/h2-3,5-6,10-11,13,17H,4,7-9,14H2,1H3,(H2,25,26,27,29,30)/t17-/m0/s1
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Case Western Reserve University

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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM246077
PNG
(US9433622, DMX- 143)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1
Show InChI InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1
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Case Western Reserve University

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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM245961
PNG
(US9433622, DMX- 33)
Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnn(c2)C2CCOCC2)n1
Show InChI InChI=1S/C22H23FN8O/c23-17-2-6-30(13-17)21-15(10-24)9-16(11-26-21)20-1-5-25-22(29-20)28-18-12-27-31(14-18)19-3-7-32-8-4-19/h1,5,9,11-12,14,17,19H,2-4,6-8,13H2,(H,25,28,29)/t17-/m0/s1
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Case Western Reserve University

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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM246065
PNG
(US9433622, DMX- 136)
Show SMILES CC(C)C(Nc1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O
Show InChI InChI=1S/C25H29N9O2/c1-16(2)22(23(27)35)33-24-17(12-26)11-18(13-30-24)21-5-6-28-25(32-21)31-19-3-4-20(29-14-19)15-34-7-9-36-10-8-34/h3-6,11,13-14,16,22H,7-10,15H2,1-2H3,(H2,27,35)(H,30,33)(H,28,31,32)
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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM245979
PNG
(US9433622, DMX- 76)
Show SMILES CN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1
Show InChI InChI=1S/C23H22FN7/c1-30-12-15-2-3-20(9-18(15)13-30)28-23-26-6-4-21(29-23)17-8-16(10-25)22(27-11-17)31-7-5-19(24)14-31/h2-4,6,8-9,11,19H,5,7,12-14H2,1H3,(H,26,28,29)/t19-/m0/s1
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Case Western Reserve University

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Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


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