Compile Data Set for Download or QSAR
Found 86 Enz. Inhib. hit(s) with all data for entry = 50009817
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532351(CHEMBL4565958)
Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532351(CHEMBL4565958)
Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532350(CHEMBL4571067)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1
Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1
Affinity DataIC50: 0.940nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532350(CHEMBL4571067)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1
Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1
Affinity DataIC50: 0.940nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120086(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120086(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532362(CHEMBL4436718)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532362(CHEMBL4436718)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120086(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 2.70nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120086(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 2.70nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120095(US10525036, Example GDC-0994 | US10934304, Example...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
Affinity DataIC50: 3.10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120095(US10525036, Example GDC-0994 | US10934304, Example...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
Affinity DataIC50: 3.10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532351(CHEMBL4565958)
Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 3.80nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532351(CHEMBL4565958)
Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 3.80nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532350(CHEMBL4571067)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1
Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1
Affinity DataIC50: 3.90nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532350(CHEMBL4571067)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1
Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1
Affinity DataIC50: 3.90nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532361(CHEMBL4435650)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 4.10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532361(CHEMBL4435650)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 4.10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532362(CHEMBL4436718)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1
Affinity DataIC50: 5nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532362(CHEMBL4436718)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1
Affinity DataIC50: 5nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM206343(US9259470, 167)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 5.90nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM206343(US9259470, 167)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 5.90nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120095(US10525036, Example GDC-0994 | US10934304, Example...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
Affinity DataIC50: 6.10nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120095(US10525036, Example GDC-0994 | US10934304, Example...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
Affinity DataIC50: 6.10nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120114(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
Affinity DataIC50: 7.70nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120114(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
Affinity DataIC50: 7.70nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532361(CHEMBL4435650)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 7.90nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532361(CHEMBL4435650)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1
Affinity DataIC50: 7.90nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532349(CHEMBL4474917)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C23H22ClFN6O2/c1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16/h3-12,14,21,32H,13H2,1-2H3,(H,26,28,29)/t21-/m1/s1
Affinity DataIC50: 10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532349(CHEMBL4474917)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C23H22ClFN6O2/c1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16/h3-12,14,21,32H,13H2,1-2H3,(H,26,28,29)/t21-/m1/s1
Affinity DataIC50: 10nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM206343(US9259470, 167)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120112(US8697715, 167)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-9-20(29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)11-14)19(12-31)15-3-4-16(23)17(24)10-15/h3-11,19,31H,12H2,1-2H3,(H,25,26,27)/t19-/m1/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120112(US8697715, 167)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-9-20(29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)11-14)19(12-31)15-3-4-16(23)17(24)10-15/h3-11,19,31H,12H2,1-2H3,(H,25,26,27)/t19-/m1/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM206343(US9259470, 167)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)/t20-/m1/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532352(CHEMBL4452981)
Show SMILES CCn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15/h3-12,19,31H,2,13H2,1H3,(H,25,27,28)/t19-/m1/s1
Affinity DataIC50: 16nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532352(CHEMBL4452981)
Show SMILES CCn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15/h3-12,19,31H,2,13H2,1H3,(H,25,27,28)/t19-/m1/s1
Affinity DataIC50: 16nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532363(CHEMBL4459138)
Show SMILES CCc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15/h4-12,20,32H,3,13H2,1-2H3,(H,26,27,28)/t20-/m1/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532363(CHEMBL4459138)
Show SMILES CCc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15/h4-12,20,32H,3,13H2,1-2H3,(H,26,27,28)/t20-/m1/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120114(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
Affinity DataIC50: 18nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120114(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
Affinity DataIC50: 18nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532349(CHEMBL4474917)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C23H22ClFN6O2/c1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16/h3-12,14,21,32H,13H2,1-2H3,(H,26,28,29)/t21-/m1/s1
Affinity DataIC50: 19nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532349(CHEMBL4474917)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1
Show InChI InChI=1S/C23H22ClFN6O2/c1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16/h3-12,14,21,32H,13H2,1-2H3,(H,26,28,29)/t21-/m1/s1
Affinity DataIC50: 19nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120112(US8697715, 167)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-9-20(29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)11-14)19(12-31)15-3-4-16(23)17(24)10-15/h3-11,19,31H,12H2,1-2H3,(H,25,26,27)/t19-/m1/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM120112(US8697715, 167)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-9-20(29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)11-14)19(12-31)15-3-4-16(23)17(24)10-15/h3-11,19,31H,12H2,1-2H3,(H,25,26,27)/t19-/m1/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532348(CHEMBL4460988)
Show SMILES CCc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-18-20(12-30(2)29-18)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532348(CHEMBL4460988)
Show SMILES CCc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-18-20(12-30(2)29-18)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532352(CHEMBL4452981)
Show SMILES CCn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15/h3-12,19,31H,2,13H2,1H3,(H,25,27,28)/t19-/m1/s1
Affinity DataIC50: 26nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532352(CHEMBL4452981)
Show SMILES CCn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15/h3-12,19,31H,2,13H2,1H3,(H,25,27,28)/t19-/m1/s1
Affinity DataIC50: 26nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532363(CHEMBL4459138)
Show SMILES CCc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15/h4-12,20,32H,3,13H2,1-2H3,(H,26,27,28)/t20-/m1/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Array BioPharma Inc

Curated by ChEMBL
LigandPNGBDBM50532363(CHEMBL4459138)
Show SMILES CCc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15/h4-12,20,32H,3,13H2,1-2H3,(H,26,27,28)/t20-/m1/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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