Compile Data Set for Download or QSAR
Found 59 Enz. Inhib. hit(s) with all data for entry = 50000987
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158531(US9034866, 6)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O
Show InChI InChI=1S/C20H17FN4O4/c1-11-7-17(24-29-11)20(2,27)4-3-12-8-13-16(9-14(12)21)28-6-5-25-10-15(18(22)26)23-19(13)25/h7-10,27H,5-6H2,1-2H3,(H2,22,26)/t20-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM158654(US9034866, 129)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O
Show InChI InChI=1S/C22H19FN4O3/c1-11-5-19(26-30-11)22(2,29)4-3-12-8-16-15(9-17(12)23)13-6-14(7-13)27-10-18(20(24)28)25-21(16)27/h5,8-10,13-14,29H,6-7H2,1-2H3,(H2,24,28)/t13?,14?,22-/m1/s1
Affinity DataKi:  0.400nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM158621(US9034866, 96)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O
Show InChI InChI=1S/C22H21N5O5/c1-12-10-16(26-32-12)22(2,30)7-6-13-4-5-15-14(11-13)20-25-17(19(23)28)18(21(29)24-3)27(20)8-9-31-15/h4-5,10-11,30H,8-9H2,1-3H3,(H2,23,28)(H,24,29)/t22-/m1/s1
Affinity DataKi:  0.470nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158788(US9034866, 263)
Show SMILES CN1CC[C@@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O
Show InChI InChI=1S/C19H17FN4O4/c1-23-5-4-19(27,18(23)26)3-2-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,4-7H2,1H3,(H2,21,25)/t19-/m0/s1
Affinity DataKi:  0.800nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM158669(US9034866, 144)
Show SMILES CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1nccs1
Show InChI InChI=1S/C19H15FN4O3S/c1-19(26,18-22-4-7-28-18)3-2-11-8-12-15(9-13(11)20)27-6-5-24-10-14(16(21)25)23-17(12)24/h4,7-10,26H,5-6H2,1H3,(H2,21,25)
Affinity DataKi:  1.5nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158566(US9034866, 41)
Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C19H19FN4O4/c1-19(2,27)5-4-10-8-11-13(9-12(10)20)28-7-6-24-15(18(26)22-3)14(16(21)25)23-17(11)24/h8-9,27H,6-7H2,1-3H3,(H2,21,25)(H,22,26)
Affinity DataKi:  2nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50266976(CHEMBL4065087)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O
Show InChI InChI=1S/C19H18FN3O2/c1-19(2,25)4-3-10-7-14-13(8-15(10)20)11-5-12(6-11)23-9-16(17(21)24)22-18(14)23/h7-9,11-12,25H,5-6H2,1-2H3,(H2,21,24)
Affinity DataKi:  2.90nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158666(US9034866, 141)
Show SMILES CN1CCCC(O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O
Show InChI InChI=1S/C20H19FN4O4/c1-24-6-2-4-20(28,19(24)27)5-3-12-9-13-16(10-14(12)21)29-8-7-25-11-15(17(22)26)23-18(13)25/h9-11,28H,2,4,6-8H2,1H3,(H2,22,26)
Affinity DataKi:  3nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158658(US9034866, 133)
Show SMILES CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cccnn1
Show InChI InChI=1S/C20H16FN5O3/c1-20(28,17-3-2-6-23-25-17)5-4-12-9-13-16(10-14(12)21)29-8-7-26-11-15(18(22)27)24-19(13)26/h2-3,6,9-11,28H,7-8H2,1H3,(H2,22,27)
Affinity DataKi:  3.20nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158570(US9034866, 45)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cn[nH]c4)n3CCOc2cc1F
Show InChI InChI=1S/C20H18FN5O3/c1-20(2,28)4-3-11-7-13-15(8-14(11)21)29-6-5-26-17(12-9-23-24-10-12)16(18(22)27)25-19(13)26/h7-10,28H,5-6H2,1-2H3,(H2,22,27)(H,23,24)
Affinity DataKi:  7nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM158550(US9034866, 25)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4F)n3CCOc2cc1F
Show InChI InChI=1S/C24H21F2N3O3/c1-24(2,31)8-7-15-11-16-20(13-18(15)26)32-10-9-29-19(21(22(27)30)28-23(16)29)12-14-5-3-4-6-17(14)25/h3-6,11,13,31H,9-10,12H2,1-2H3,(H2,27,30)
Affinity DataKi:  7.5nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158600(US9034866, 75)
Show SMILES CC(O)(CF)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O
Show InChI InChI=1S/C17H15F2N3O3/c1-17(24,9-18)3-2-10-6-11-14(7-12(10)19)25-5-4-22-8-13(15(20)23)21-16(11)22/h6-8,24H,4-5,9H2,1H3,(H2,20,23)
Affinity DataKi:  8.70nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158795(US9034866, 270)
Show SMILES Cn1nccc1Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C22H22FN5O3/c1-22(2,30)6-4-13-10-15-18(12-16(13)23)31-9-8-28-17(11-14-5-7-25-27(14)3)19(20(24)29)26-21(15)28/h5,7,10,12,30H,8-9,11H2,1-3H3,(H2,24,29)
Affinity DataKi:  9.90nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158542(US9034866, 17)
Show SMILES NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCC1
Show InChI InChI=1S/C18H16FN3O3/c19-13-9-15-12(8-11(13)2-5-18(24)3-1-4-18)17-21-14(16(20)23)10-22(17)6-7-25-15/h8-10,24H,1,3-4,6-7H2,(H2,20,23)
Affinity DataKi:  20nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158704(US9034866, 179)
Show SMILES CC(C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C19H19N3O2/c1-19(2,24)6-5-11-3-4-14-12-8-13(9-12)22-10-16(17(20)23)21-18(22)15(14)7-11/h3-4,7,10,12-13,24H,8-9H2,1-2H3,(H2,20,23)
Affinity DataKi:  20nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158528(US9034866, 3)
Show SMILES CC(C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H16N2O3S/c1-17(2,21)7-5-10-3-4-12-11(9-10)14-13(6-8-22-12)23-16(19-14)15(18)20/h3-4,9,21H,6,8H2,1-2H3,(H2,18,20)
Affinity DataKi:  28nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158559(US9034866, 34)
Show SMILES Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C18H18FN3O3/c1-10-15(16(20)23)21-17-12-8-11(4-5-18(2,3)24)13(19)9-14(12)25-7-6-22(10)17/h8-9,24H,6-7H2,1-3H3,(H2,20,23)
Affinity DataKi:  36nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158530(US9034866, 5)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O
Show InChI InChI=1S/C17H16FN3O3/c1-17(2,23)4-3-10-7-11-14(8-12(10)18)24-6-5-21-9-13(15(19)22)20-16(11)21/h7-9,23H,5-6H2,1-2H3,(H2,19,22)
Affinity DataKi:  36nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158552(US9034866, 27)
Show SMILES CC(C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H14F2N2O3S/c1-16(2,23)6-5-9-3-4-11-10(7-9)12-13(17(18,19)8-24-11)25-15(21-12)14(20)22/h3-4,7,23H,8H2,1-2H3,(H2,20,22)
Affinity DataKi:  40nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158561(US9034866, 36)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F
Show InChI InChI=1S/C20H20FN3O3/c1-20(2,26)6-5-12-9-13-15(10-14(12)21)27-8-7-24-17(11-3-4-11)16(18(22)25)23-19(13)24/h9-11,26H,3-4,7-8H2,1-2H3,(H2,22,25)
Affinity DataKi:  41nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
LigandPNGBDBM158531(US9034866, 6)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O
Show InChI InChI=1S/C20H17FN4O4/c1-11-7-17(24-29-11)20(2,27)4-3-12-8-13-16(9-14(12)21)28-6-5-25-10-15(18(22)26)23-19(13)25/h7-10,27H,5-6H2,1-2H3,(H2,22,26)/t20-/m1/s1
Affinity DataKi:  47nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158537(US9034866, 12)
Show SMILES CC(C)(O)C#Cc1ccc2OCC(O)c3sc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H16N2O4S/c1-17(2,22)6-5-9-3-4-12-10(7-9)13-14(11(20)8-23-12)24-16(19-13)15(18)21/h3-4,7,11,20,22H,8H2,1-2H3,(H2,18,21)
Affinity DataKi:  101nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158558(US9034866, 33)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C#N)n3CCOc2cc1F
Show InChI InChI=1S/C18H15FN4O3/c1-18(2,25)4-3-10-7-11-14(8-12(10)19)26-6-5-23-13(9-20)15(16(21)24)22-17(11)23/h7-8,25H,5-6H2,1-2H3,(H2,21,24)
Affinity DataKi:  201nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
LigandPNGBDBM158528(US9034866, 3)
Show SMILES CC(C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H16N2O3S/c1-17(2,21)7-5-10-3-4-12-11(9-10)14-13(6-8-22-12)23-16(19-14)15(18)20/h3-4,9,21H,6,8H2,1-2H3,(H2,18,20)
Affinity DataKi:  216nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158527(US9034866, 2)
Show SMILES CC(C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H17N3O3/c1-17(2,22)6-5-11-3-4-14-12(9-11)16-19-13(15(18)21)10-20(16)7-8-23-14/h3-4,9-10,22H,7-8H2,1-2H3,(H2,18,21)
Affinity DataKi:  310nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
LigandPNGBDBM158527(US9034866, 2)
Show SMILES CC(C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H17N3O3/c1-17(2,22)6-5-11-3-4-14-12(9-11)16-19-13(15(18)21)10-20(16)7-8-23-14/h3-4,9-10,22H,7-8H2,1-2H3,(H2,18,21)
Affinity DataKi:  320nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158789(US9034866, 264)
Show SMILES CN1CC[C@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O
Show InChI InChI=1S/C19H17FN4O4/c1-23-5-4-19(27,18(23)26)3-2-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,4-7H2,1H3,(H2,21,25)/t19-/m1/s1
Affinity DataKi:  405nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158769(US9034866, 244)
Show SMILES C[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O
Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m0/s1
Affinity DataKi:  547nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158576(US9034866, 51)
Show SMILES CN(C)C(=O)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O
Show InChI InChI=1S/C19H19FN4O4/c1-19(27,18(26)23(2)3)5-4-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,6-7H2,1-3H3,(H2,21,25)
Affinity DataKi:  986nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
LigandPNGBDBM158552(US9034866, 27)
Show SMILES CC(C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H14F2N2O3S/c1-16(2,23)6-5-9-3-4-11-10(7-9)12-13(17(18,19)8-24-11)25-15(21-12)14(20)22/h3-4,7,23H,8H2,1-2H3,(H2,20,22)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158537(US9034866, 12)
Show SMILES CC(C)(O)C#Cc1ccc2OCC(O)c3sc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C17H16N2O4S/c1-17(2,22)6-5-9-3-4-12-10(7-9)13-14(11(20)8-23-12)24-16(19-13)15(18)21/h3-4,7,11,20,22H,8H2,1-2H3,(H2,18,21)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158770(US9034866, 245)
Show SMILES C[C@@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O
Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m1/s1
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158769(US9034866, 244)
Show SMILES C[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O
Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m0/s1
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158795(US9034866, 270)
Show SMILES Cn1nccc1Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C22H22FN5O3/c1-22(2,30)6-4-13-10-15-18(12-16(13)23)31-9-8-28-17(11-14-5-7-25-27(14)3)19(20(24)29)26-21(15)28/h5,7,10,12,30H,8-9,11H2,1-3H3,(H2,24,29)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158566(US9034866, 41)
Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C19H19FN4O4/c1-19(2,27)5-4-10-8-11-13(9-12(10)20)28-7-6-24-15(18(26)22-3)14(16(21)25)23-17(11)24/h8-9,27H,6-7H2,1-3H3,(H2,21,25)(H,22,26)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158561(US9034866, 36)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F
Show InChI InChI=1S/C20H20FN3O3/c1-20(2,26)6-5-12-9-13-15(10-14(12)21)27-8-7-24-17(11-3-4-11)16(18(22)25)23-19(13)24/h9-11,26H,3-4,7-8H2,1-2H3,(H2,22,25)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158558(US9034866, 33)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C#N)n3CCOc2cc1F
Show InChI InChI=1S/C18H15FN4O3/c1-18(2,25)4-3-10-7-11-14(8-12(10)19)26-6-5-23-13(9-20)15(16(21)24)22-17(11)23/h7-8,25H,5-6H2,1-2H3,(H2,21,24)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158559(US9034866, 34)
Show SMILES Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C18H18FN3O3/c1-10-15(16(20)23)21-17-12-8-11(4-5-18(2,3)24)13(19)9-14(12)25-7-6-22(10)17/h8-9,24H,6-7H2,1-3H3,(H2,20,23)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM50266976(CHEMBL4065087)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O
Show InChI InChI=1S/C19H18FN3O2/c1-19(2,25)4-3-10-7-14-13(8-15(10)20)11-5-12(6-11)23-9-16(17(21)24)22-18(14)23/h7-9,11-12,25H,5-6H2,1-2H3,(H2,21,24)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM158654(US9034866, 129)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O
Show InChI InChI=1S/C22H19FN4O3/c1-11-5-19(26-30-11)22(2,29)4-3-12-8-16-15(9-17(12)23)13-6-14(7-13)27-10-18(20(24)28)25-21(16)27/h5,8-10,13-14,29H,6-7H2,1-2H3,(H2,24,28)/t13?,14?,22-/m1/s1
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158621(US9034866, 96)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O
Show InChI InChI=1S/C22H21N5O5/c1-12-10-16(26-32-12)22(2,30)7-6-13-4-5-15-14(11-13)20-25-17(19(23)28)18(21(29)24-3)27(20)8-9-31-15/h4-5,10-11,30H,8-9H2,1-3H3,(H2,23,28)(H,24,29)/t22-/m1/s1
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158704(US9034866, 179)
Show SMILES CC(C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O
Show InChI InChI=1S/C19H19N3O2/c1-19(2,24)6-5-11-3-4-14-12-8-13(9-12)22-10-16(17(20)23)21-18(22)15(14)7-11/h3-4,7,10,12-13,24H,8-9H2,1-2H3,(H2,20,23)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158550(US9034866, 25)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4F)n3CCOc2cc1F
Show InChI InChI=1S/C24H21F2N3O3/c1-24(2,31)8-7-15-11-16-20(13-18(15)26)32-10-9-29-19(21(22(27)30)28-23(16)29)12-14-5-3-4-6-17(14)25/h3-6,11,13,31H,9-10,12H2,1-2H3,(H2,27,30)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158575(US9034866, 50)
Show SMILES CN(C)C(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C20H21FN4O4/c1-20(2,28)6-5-11-9-12-14(10-13(11)21)29-8-7-25-16(19(27)24(3)4)15(17(22)26)23-18(12)25/h9-10,28H,7-8H2,1-4H3,(H2,22,26)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
LigandPNGBDBM158570(US9034866, 45)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cn[nH]c4)n3CCOc2cc1F
Show InChI InChI=1S/C20H18FN5O3/c1-20(2,28)4-3-11-7-13-15(8-14(11)21)29-6-5-26-17(12-9-23-24-10-12)16(18(22)27)25-19(13)26/h7-10,28H,5-6H2,1-2H3,(H2,22,27)(H,23,24)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158770(US9034866, 245)
Show SMILES C[C@@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O
Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m1/s1
Affinity DataKi:  1.16E+3nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50266977(CHEMBL4086137)
Show SMILES NC(=O)c1ccc2OCCc3ccsc3-c2n1
Show InChI InChI=1S/C12H10N2O2S/c13-12(15)8-1-2-9-10(14-8)11-7(3-5-16-9)4-6-17-11/h1-2,4,6H,3,5H2,(H2,13,15)
Affinity DataKi:  1.28E+3nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158575(US9034866, 50)
Show SMILES CN(C)C(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O
Show InChI InChI=1S/C20H21FN4O4/c1-20(2,28)6-5-11-9-12-14(10-13(11)21)29-8-7-25-16(19(27)24(3)4)15(17(22)26)23-18(12)25/h9-10,28H,7-8H2,1-4H3,(H2,22,26)
Affinity DataKi:  2.50E+3nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158583(US9034866, 58)
Show SMILES NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)COC1
Show InChI InChI=1S/C17H14FN3O4/c18-12-6-14-11(5-10(12)1-2-17(23)8-24-9-17)16-20-13(15(19)22)7-21(16)3-4-25-14/h5-7,23H,3-4,8-9H2,(H2,19,22)
Affinity DataKi:  4.28E+3nMAssay Description:Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM158621(US9034866, 96)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O
Show InChI InChI=1S/C22H21N5O5/c1-12-10-16(26-32-12)22(2,30)7-6-13-4-5-15-14(11-13)20-25-17(19(23)28)18(21(29)24-3)27(20)8-9-31-15/h4-5,10-11,30H,8-9H2,1-3H3,(H2,23,28)(H,24,29)/t22-/m1/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of NIK (unknown origin) expressed in HEK293 cells assessed as decrease in NFkappaB signal after 24 hrs by dual glo luciferase reporter gen...More data for this Ligand-Target Pair
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