Compile Data Set for Download or QSAR
Found 176 of kd for UniProtKB: P28482
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50505988(CHEMBL4482864)
Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C
Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
Affinity DataKd:  0.0501nMAssay Description:Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50094464(CHEMBL3590107 | US10525036, Example SCH772984 | US...)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
Affinity DataKd:  0.0501nMAssay Description:Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50094464(CHEMBL3590107 | US10525036, Example SCH772984 | US...)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
Affinity DataKd:  0.100nMAssay Description:Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50505988(CHEMBL4482864)
Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C
Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
Affinity DataKd:  0.100nMAssay Description:Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50265959(CHEMBL4071576)
Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C
Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1
Affinity DataKd:  0.158nMAssay Description:Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50094465(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
Affinity DataKd:  0.316nMAssay Description:Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50265959(CHEMBL4071576)
Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C
Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1
Affinity DataKd:  0.794nMAssay Description:Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50326053(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
Affinity DataKd: >1nMAssay Description:Binding constant for full-length ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

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 DataKd:  1.60nMAssay Description:Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

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 DataKd:  1.60nMAssay Description:Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50094465(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
Affinity DataKd:  10nMAssay Description:Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50254739(CHEMBL4079223)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C133H217N45O30/c1-14-74(9)105(127(204)162-92(64-71(3)4)120(197)151-76(11)111(188)153-86(48-51-98(137)182)116(193)155-83(42-32-57-147-131(140)141)114(191)156-85(44-34-59-149-133(144)145)119(196)166-104(73(7)8)125(202)157-84(43-33-58-148-132(142)143)115(192)160-90(130(207)208)41-22-27-55-135)167-123(200)95(70-180)164-122(199)94(69-179)163-118(195)88(50-53-102(186)187)158-126(203)106(75(10)15-2)168-124(201)97-46-35-61-176(97)129(206)89(40-21-26-54-134)159-121(198)93(65-72(5)6)161-117(194)87(49-52-99(138)183)154-112(189)77(12)152-128(205)107(78(13)181)165-101(185)67-150-113(190)82(136)39-24-30-60-175-68-80(169-174-175)38-23-28-56-146-100(184)47-20-17-29-63-178-110-81(109(139)173-178)66-91(170-171-110)103-96-45-25-31-62-177(96)172-108(103)79-36-18-16-19-37-79/h16,18-19,25,31,36-37,45,62,66,68,71-78,82-90,92-95,97,104-107,179-181H,14-15,17,20-24,26-30,32-35,38-44,46-61,63-65,67,69-70,134-136H2,1-13H3,(H2,137,182)(H2,138,183)(H2,139,173)(H,146,184)(H,150,190)(H,151,197)(H,152,205)(H,153,188)(H,154,189)(H,155,193)(H,156,191)(H,157,202)(H,158,203)(H,159,198)(H,160,192)(H,161,194)(H,162,204)(H,163,195)(H,164,199)(H,165,185)(H,166,196)(H,167,200)(H,168,201)(H,186,187)(H,207,208)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t74-,75-,76-,77-,78+,82?,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,97-,104-,105-,106-,107-/m0/s1
Affinity DataKd:  16nMAssay Description:Binding affinity to full length wild type human ERK2 (M1 to P379 residues) expressed in bacterial expression system by KINOMEscan assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataKd:  73nMAssay Description:Binding constant for full-length ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataKd:  233nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM482158(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
Affinity DataKd:  300nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataKd:  300nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50254740(CHEMBL4104378)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C121H215N37O34/c1-18-64(13)91(153-107(180)83(57-160)150-106(179)82(56-159)149-102(175)76(40-43-89(166)167)143-112(185)92(65(14)19-2)154-110(183)86-37-29-50-157(86)116(189)77(31-21-23-45-123)144-105(178)79(53-60(5)6)145-101(174)75(39-42-88(125)165)141-96(169)69-32-24-46-132-69)113(186)146-78(52-59(3)4)104(177)136-66(15)95(168)137-74(38-41-87(124)164)100(173)139-71(33-25-47-133-119(126)127)97(170)140-73(35-27-49-135-121(130)131)103(176)152-90(63(11)12)111(184)142-72(34-26-48-134-120(128)129)98(171)138-70(30-20-22-44-122)99(172)147-80(54-61(7)8)117(190)158-51-28-36-85(158)109(182)151-84(58-161)108(181)155-94(68(17)163)115(188)156-93(67(16)162)114(187)148-81(118(191)192)55-62(9)10/h59-86,90-94,132,159-163H,18-58,122-123H2,1-17H3,(H2,124,164)(H2,125,165)(H,136,177)(H,137,168)(H,138,171)(H,139,173)(H,140,170)(H,141,169)(H,142,184)(H,143,185)(H,144,178)(H,145,174)(H,146,186)(H,147,172)(H,148,187)(H,149,175)(H,150,179)(H,151,182)(H,152,176)(H,153,180)(H,154,183)(H,155,181)(H,156,188)(H,166,167)(H,191,192)(H4,126,127,133)(H4,128,129,134)(H4,130,131,135)/t64-,65-,66-,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-,93-,94-/m0/s1
Affinity DataKd:  500nMAssay Description:Binding affinity to C-terminal FLAG-tagged human ERK2 expressed in Escherichia coli (DE3) after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50229978(5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOL...)
Show SMILES Nc1n[nH]c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
Affinity DataKd:  850nMAssay Description:Binding affinity to ERK2 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50030882(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
Affinity DataKd:  1.06E+3nMAssay Description:Binding affinity to non-phosphorylated Erk2 (unknown origin) by TdF assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50440018(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
Affinity DataKd:  1.50E+3nMAssay Description:Binding affinity to ERK2 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50030882(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
Affinity DataKd:  1.90E+3nMAssay Description:Binding affinity to activated Erk2 (unknown origin) by TdF assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50169955(3-(2-Amino-ethyl)-5-[1-(4-ethoxy-phenyl)-meth-(Z)-...)
Show SMILES CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
Affinity DataKd:  5.00E+3nMAssay Description:Dissociation constant for ERK2 kinaseMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50216680(1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine |...)
Show SMILES NC(N)=NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
Affinity DataKd:  5.00E+3nMAssay Description:Inhibition of ERK2Checked by AuthorMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50375649(CHEMBL262615)
Show SMILES CCOc1ccc(\C=C2\SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9+
Affinity DataKd:  5.00E+3nMAssay Description:Binding affinity to ERK2Checked by AuthorMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50169956(2-(Benzooxazol-2-ylsulfanyl)-N-(4-tetrazol-1-yl-ph...)
Show SMILES O=C(CSc1nc2ccccc2o1)Nc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C16H12N6O2S/c23-15(9-25-16-19-13-3-1-2-4-14(13)24-16)18-11-5-7-12(8-6-11)22-10-17-20-21-22/h1-8,10H,9H2,(H,18,23)
Affinity DataKd:  5.00E+3nMAssay Description:Dissociation constant for ERK2 kinaseMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50519158(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
Affinity DataKd:  5.32E+3nMAssay Description:Binding affinity to wild-type human full length ERK2 (M1 to S360 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM473172((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
Affinity DataKd:  5.50E+3nMAssay Description:Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataKd:  7.30E+3nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50326053(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50308060(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50326053(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50308060(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50300690(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50326054(CHEMBL1240703)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13535(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM16673(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to ERK2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM5655(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50331096(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7...)
Show SMILES COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM31095(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM60589(6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4...)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50332294(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)
Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50128285(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13533(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM27817(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Show InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50306682((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM25118((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
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