Compile Data Set for Download or QSAR
Found 17 of affinity data for UniProtKB/TrEMBL: Q91Y86
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578351(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2
Show InChI InChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-1-3-11(22)4-2-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11-,16?
Affinity DataIC50: 170nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578352(CHEMBL4877655)
Show SMILES NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2
Show InChI InChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-2-1-3-11(22)4-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11+,16?/m1/s1
Affinity DataIC50: 210nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578343(CHEMBL4878046)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1
Show InChI InChI=1S/C17H21N5O2/c18-15(24)14-10-19-17(21-12-6-8-13(23)9-7-12)22-16(14)20-11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,24)(H2,19,20,21,22)/t12-,13-
Affinity DataIC50: 212nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578350(CHEMBL4874549)
Show SMILES CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-15(2,3)20-13-11(12(16)22)8-17-14(19-13)18-9-4-6-10(21)7-5-9/h8-10,21H,4-7H2,1-3H3,(H2,16,22)(H2,17,18,19,20)/t9-,10-
Affinity DataIC50: 350nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578346(CHEMBL4847078)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1
Show InChI InChI=1S/C18H29N5O3/c1-26-14-7-5-11(6-8-14)22-18-20-10-15(16(19)25)17(23-18)21-12-3-2-4-13(24)9-12/h10-14,24H,2-9H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12-,13+,14-/m1/s1
Affinity DataIC50: 400nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578354(CHEMBL4847106)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC(C)(C)C)ncc1C(N)=O
Show InChI InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
Affinity DataIC50: 500nMAssay Description:Inhibition of c-Jun phosphorylation in LPS-stimulated JNK2-/- mouse embryonic fibroblast incubated for 30 mins by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578353(CHEMBL4872066)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC2(C)CC2)ncc1C(N)=O
Show InChI InChI=1S/C16H25N5O2/c1-9-3-4-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2)5-6-16/h8-10,12,22H,3-7H2,1-2H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
Affinity DataIC50: 550nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578347(CHEMBL4853125)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1
Show InChI InChI=1S/C18H29N5O3/c1-26-14-7-5-11(6-8-14)22-18-20-10-15(16(19)25)17(23-18)21-12-3-2-4-13(24)9-12/h10-14,24H,2-9H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12-,13-,14-/m1/s1
Affinity DataIC50: 580nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50364378(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
Affinity DataIC50: 1.12E+3nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50364378(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of c-Jun phosphorylation in LPS-stimulated JNK1-/- mouse embryonic fibroblast incubated for 30 mins by ELISAMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578342(CHEMBL4861369)
Show SMILES COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC
Show InChI InChI=1S/C19H19N5O3/c1-26-15-9-8-13(10-16(15)27-2)23-19-21-11-14(17(20)25)18(24-19)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578344(CHEMBL4874419)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O
Show InChI InChI=1S/C14H23N5O2/c1-8(2)17-13-11(12(15)21)7-16-14(19-13)18-9-3-5-10(20)6-4-9/h7-10,20H,3-6H2,1-2H3,(H2,15,21)(H2,16,17,18,19)/t9-,10-
Affinity DataIC50: 1.77E+3nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578345(CHEMBL4848290)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)C)n1
Show InChI InChI=1S/C15H25N5O2/c1-9(2)18-14-12(13(16)21)8-17-15(20-14)19-10-4-6-11(22-3)7-5-10/h8-11H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20)/t10-,11-
Affinity DataIC50: 2.39E+3nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578348(CHEMBL4848796)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@H](O)C2)n1
Show InChI InChI=1S/C18H29N5O3/c1-26-14-7-5-11(6-8-14)22-18-20-10-15(16(19)25)17(23-18)21-12-3-2-4-13(24)9-12/h10-14,24H,2-9H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12-,13-,14-/m0/s1
Affinity DataIC50: 6.80E+3nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50364378(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
Affinity DataIC50: 6.80E+3nMAssay Description:Inhibition of c-Jun phosphorylation in LPS-stimulated JNK2-/- mouse embryonic fibroblast incubated for 30 mins by ELISAMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578354(CHEMBL4847106)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC(C)(C)C)ncc1C(N)=O
Show InChI InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
Affinity DataIC50: 9.80E+3nMAssay Description:Inhibition of c-Jun phosphorylation in LPS-stimulated JNK1-/- mouse embryonic fibroblast incubated for 30 mins by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 8(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50578349(CHEMBL4852680)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@@H](O)C2)n1
Show InChI InChI=1S/C18H29N5O3/c1-26-14-7-5-11(6-8-14)22-18-20-10-15(16(19)25)17(23-18)21-12-3-2-4-13(24)9-12/h10-14,24H,2-9H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12-,13+,14-/m0/s1
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid