Compile Data Set for Download or QSAR

Found 298 hits of Enzyme Inhibition Constant Data   

TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92237(erk000705)
Show SMILES CCONc1ncc(Cl)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1
Show InChI InChI=1S/C20H22ClN5O3/c1-3-29-26-20-23-10-15(21)18(25-20)14-8-16(22-9-14)19(28)24-17(11-27)13-6-4-5-12(2)7-13/h4-10,17,22,27H,3,11H2,1-2H3,(H,24,28)(H,23,25,26)/t17-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92216(erk000678)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)n(CC)c1
Show InChI InChI=1S/C24H30ClN5O3/c1-4-19(13-31)27-24-26-11-15(3)22(29-24)17-10-21(30(5-2)12-17)23(33)28-20(14-32)16-7-6-8-18(25)9-16/h6-12,19-20,31-32H,4-5,13-14H2,1-3H3,(H,28,33)(H,26,27,29)/t19-,20+/m0/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92107(erk000539)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(F)c2)c1C
Show InChI InChI=1S/C26H26FN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92241(erk000710)
Show SMILES CC[C@@H](CO)Nc1ncc(Cl)c(n1)-c1cc(C(=O)N[C@H](CO)c2ccccc2)n(C)c1
Show InChI InChI=1S/C22H26ClN5O3/c1-3-16(12-29)25-22-24-10-17(23)20(27-22)15-9-19(28(2)11-15)21(31)26-18(13-30)14-7-5-4-6-8-14/h4-11,16,18,29-30H,3,12-13H2,1-2H3,(H,26,31)(H,24,25,27)/t16-,18+/m0/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92252(erk000721)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](COP([O-])([O-])=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H27ClN5O6P/c1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(30)27-19(12-34-35(31,32)33)14-5-4-6-16(23)7-14/h4-10,17,19,24,29H,3,11-12H2,1-2H3,(H,27,30)(H,25,26,28)(H2,31,32,33)/p-2/t17-,19+/m0/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92191(erk000647)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(NCC(F)(F)F)ncc1C
Show InChI InChI=1S/C21H22F3N5O2/c1-12-4-3-5-14(6-12)17(10-30)28-19(31)16-7-15(9-25-16)18-13(2)8-26-20(29-18)27-11-21(22,23)24/h3-9,17,25,30H,10-11H2,1-2H3,(H,28,31)(H,26,27,29)/t17-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92201(erk000660)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(N[C@H]2CCOC2)ncc1C
Show InChI InChI=1S/C23H27N5O3/c1-14-4-3-5-16(8-14)20(12-29)27-22(30)19-9-17(11-24-19)21-15(2)10-25-23(28-21)26-18-6-7-31-13-18/h3-5,8-11,18,20,24,29H,6-7,12-13H2,1-2H3,(H,27,30)(H,25,26,28)/t18-,20+/m0/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92028(erk000397)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H21ClFN5O2/c1-14-11-28-24(29-17-5-3-2-4-6-17)31-22(14)16-10-20(27-12-16)23(33)30-21(13-32)15-7-8-19(26)18(25)9-15/h2-12,21,27,32H,13H2,1H3,(H,30,33)(H,28,29,31)/t21-/m0/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92172(erk000625)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(NOCC(F)(F)F)ncc1C
Show InChI InChI=1S/C21H22F3N5O3/c1-12-4-3-5-14(6-12)17(10-30)27-19(31)16-7-15(9-25-16)18-13(2)8-26-20(28-18)29-32-11-21(22,23)24/h3-9,17,25,30H,10-11H2,1-2H3,(H,27,31)(H,26,28,29)/t17-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92180(erk000635)
Show SMILES CCNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN5O2/c1-3-22-20-24-9-12(2)18(26-20)14-8-16(23-10-14)19(28)25-17(11-27)13-5-4-6-15(21)7-13/h4-10,17,23,27H,3,11H2,1-2H3,(H,25,28)(H,22,24,26)/t17-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92063(erk000487)
Show SMILES Cc1cnc(N[C@@H](CO)CC2CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H29N5O3/c1-15-11-26-24(27-19(13-30)9-16-7-8-16)29-22(15)18-10-20(25-12-18)23(32)28-21(14-31)17-5-3-2-4-6-17/h2-6,10-12,16,19,21,25,30-31H,7-9,13-14H2,1H3,(H,28,32)(H,26,27,29)/t19-,21-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92179(erk000634)
Show SMILES CCNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1
Show InChI InChI=1S/C21H25N5O2/c1-4-22-21-24-10-14(3)19(26-21)16-9-17(23-11-16)20(28)25-18(12-27)15-7-5-6-13(2)8-15/h5-11,18,23,27H,4,12H2,1-3H3,(H,25,28)(H,22,24,26)/t18-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM35641(erk000040 | pyrimidylpyrrole, 2)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92121(erk000557)
Show SMILES CC[C@@H](COC)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O3/c1-4-18(13-32-3)27-23-26-10-14(2)21(29-23)16-9-19(25-11-16)22(31)28-20(12-30)15-6-5-7-17(24)8-15/h5-11,18,20,25,30H,4,12-13H2,1-3H3,(H,28,31)(H,26,27,29)/t18-,20+/m0/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92125(erk000561)
Show SMILES Cc1cnc(Nc2c(F)cccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H21F2N5O2/c1-14-11-28-24(31-22-17(25)8-5-9-18(22)26)30-21(14)16-10-19(27-12-16)23(33)29-20(13-32)15-6-3-2-4-7-15/h2-12,20,27,32H,13H2,1H3,(H,29,33)(H,28,30,31)/t20-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92164(erk000615)
Show SMILES CCCONc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClN5O3/c1-3-7-30-27-21-24-10-13(2)19(26-21)15-9-17(23-11-15)20(29)25-18(12-28)14-5-4-6-16(22)8-14/h4-6,8-11,18,23,28H,3,7,12H2,1-2H3,(H,25,29)(H,24,26,27)/t18-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM35646(erk000506 | pyrimidylpyrrole, 9e)
Show SMILES Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H22F3N5O2/c1-15-12-30-24(32-19-10-6-5-9-18(19)25(26,27)28)33-22(15)17-11-20(29-13-17)23(35)31-21(14-34)16-7-3-2-4-8-16/h2-13,21,29,34H,14H2,1H3,(H,31,35)(H,30,32,33)/t21-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92187(erk000643)
Show SMILES Cc1cnc(NC2CCCCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h5-7,10-13,19,21,26,31H,2-4,8-9,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1
Affinity DataKi:  4nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92118(erk000552)
Show SMILES CSCC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H29N5O3S/c1-15-11-25-23(26-18(13-29)8-9-32-2)28-21(15)17-10-19(24-12-17)22(31)27-20(14-30)16-6-4-3-5-7-16/h3-7,10-12,18,20,24,29-30H,8-9,13-14H2,1-2H3,(H,27,31)(H,25,26,28)/t18-,20+/m0/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92168(erk000621)
Show SMILES Cc1cnc(NN2CCCCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C23H27ClN6O2/c1-15-12-26-23(29-30-8-3-2-4-9-30)28-21(15)17-11-19(25-13-17)22(32)27-20(14-31)16-6-5-7-18(24)10-16/h5-7,10-13,20,25,31H,2-4,8-9,14H2,1H3,(H,27,32)(H,26,28,29)/t20-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92038(erk000444)
Show SMILES Cc1cnc(NCC(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H20F3N5O2/c1-12-8-25-19(26-11-20(21,22)23)28-17(12)14-7-15(24-9-14)18(30)27-16(10-29)13-5-3-2-4-6-13/h2-9,16,24,29H,10-11H2,1H3,(H,27,30)(H,25,26,28)/t16-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM35658(erk000651 | pyrimidylpyrrole, 11f)
Show SMILES Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(26)9-18(19)27)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM35656(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92217(erk000679)
Show SMILES CCn1cc(cc1C(=O)N[C@H](CO)c1cccc(Cl)c1)-c1nc(N[C@@H](C)CO)ncc1C
Show InChI InChI=1S/C23H28ClN5O3/c1-4-29-11-17(21-14(2)10-25-23(28-21)26-15(3)12-30)9-20(29)22(32)27-19(13-31)16-6-5-7-18(24)8-16/h5-11,15,19,30-31H,4,12-13H2,1-3H3,(H,27,32)(H,25,26,28)/t15-,19+/m0/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92043(erk000453)
Show SMILES Cc1cnc(NCC2CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H25N5O2/c1-14-10-24-22(25-11-15-7-8-15)27-20(14)17-9-18(23-12-17)21(29)26-19(13-28)16-5-3-2-4-6-16/h2-6,9-10,12,15,19,23,28H,7-8,11,13H2,1H3,(H,26,29)(H,24,25,27)/t19-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92082(erk000509)
Show SMILES Cc1cnc(NC(CO)CO)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O4/c1-13-8-23-21(24-16(10-27)11-28)26-19(13)15-7-17(22-9-15)20(30)25-18(12-29)14-5-3-2-4-6-14/h2-9,16,18,22,27-29H,10-12H2,1H3,(H,25,30)(H,23,24,26)/t18-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92163(erk000614)
Show SMILES CCCONc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1
Show InChI InChI=1S/C22H27N5O3/c1-4-8-30-27-22-24-11-15(3)20(26-22)17-10-18(23-12-17)21(29)25-19(13-28)16-7-5-6-14(2)9-16/h5-7,9-12,19,23,28H,4,8,13H2,1-3H3,(H,25,29)(H,24,26,27)/t19-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92227(erk000694)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)n(COC)c1
Show InChI InChI=1S/C24H30ClN5O4/c1-4-19(12-31)27-24-26-10-15(2)22(29-24)17-9-21(30(11-17)14-34-3)23(33)28-20(13-32)16-6-5-7-18(25)8-16/h5-11,19-20,31-32H,4,12-14H2,1-3H3,(H,28,33)(H,26,27,29)/t19-,20+/m0/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92137(erk000582)
Show SMILES CCONc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN5O3/c1-3-29-26-20-23-9-12(2)18(25-20)14-8-16(22-10-14)19(28)24-17(11-27)13-5-4-6-15(21)7-13/h4-10,17,22,27H,3,11H2,1-2H3,(H,24,28)(H,23,25,26)/t17-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92084(erk000512)
Show SMILES Cc1cnc(NC(C)(CO)CO)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H27N5O4/c1-14-9-24-21(27-22(2,12-29)13-30)26-19(14)16-8-17(23-10-16)20(31)25-18(11-28)15-6-4-3-5-7-15/h3-10,18,23,28-30H,11-13H2,1-2H3,(H,25,31)(H,24,26,27)/t18-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92154(erk000605)
Show SMILES CC(C)[C@H](C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O2/c1-13(2)15(4)27-23-26-10-14(3)21(29-23)17-9-19(25-11-17)22(31)28-20(12-30)16-6-5-7-18(24)8-16/h5-11,13,15,20,25,30H,12H2,1-4H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92108(erk000540)
Show SMILES Cc1cnc(NC2CCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H25N5O2/c1-14-11-24-22(25-17-8-5-9-17)27-20(14)16-10-18(23-12-16)21(29)26-19(13-28)15-6-3-2-4-7-15/h2-4,6-7,10-12,17,19,23,28H,5,8-9,13H2,1H3,(H,26,29)(H,24,25,27)/t19-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92225(erk000692)
Show SMILES Cc1cnc(NCC(F)(F)F)nc1-c1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)n(C)c1
Show InChI InChI=1S/C21H21ClF3N5O2/c1-12-8-26-20(27-11-21(23,24)25)29-18(12)14-7-17(30(2)9-14)19(32)28-16(10-31)13-4-3-5-15(22)6-13/h3-9,16,31H,10-11H2,1-2H3,(H,28,32)(H,26,27,29)/t16-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92114(erk000547)
Show SMILES CCC(CC)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H29N5O2/c1-4-18(5-2)26-23-25-12-15(3)21(28-23)17-11-19(24-13-17)22(30)27-20(14-29)16-9-7-6-8-10-16/h6-13,18,20,24,29H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,28)/t20-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92238(erk000706)
Show SMILES C[C@@H](CO)Nc1ncc(C)c(n1)-c1cc(C(=O)N[C@H](CO)c2ccccc2)n(C)c1
Show InChI InChI=1S/C22H27N5O3/c1-14-10-23-22(24-15(2)12-28)26-20(14)17-9-19(27(3)11-17)21(30)25-18(13-29)16-7-5-4-6-8-16/h4-11,15,18,28-29H,12-13H2,1-3H3,(H,25,30)(H,23,24,26)/t15-,18+/m0/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92119(erk000553)
Show SMILES CC1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H31N5O2/c1-16-8-10-20(11-9-16)28-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(32)29-22(15-31)18-6-4-3-5-7-18/h3-7,12-14,16,20,22,26,31H,8-11,15H2,1-2H3,(H,29,32)(H,27,28,30)/t16?,20?,22-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92207(erk000666)
Show SMILES CC[C@@H](COC(C)=O)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClN5O4/c1-4-19(13-34-15(3)32)28-24-27-10-14(2)22(30-24)17-9-20(26-11-17)23(33)29-21(12-31)16-6-5-7-18(25)8-16/h5-11,19,21,26,31H,4,12-13H2,1-3H3,(H,29,33)(H,27,28,30)/t19-,21+/m0/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92032(erk000436)
Show SMILES Cc1ccc(cc1F)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2cccc(F)c2)ncc1C
Show InChI InChI=1S/C25H23F2N5O2/c1-14-6-7-16(8-20(14)27)22(13-33)31-24(34)21-9-17(12-28-21)23-15(2)11-29-25(32-23)30-19-5-3-4-18(26)10-19/h3-12,22,28,33H,13H2,1-2H3,(H,31,34)(H,29,30,32)/t22-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92239(erk000708)
Show SMILES CC(C)Nc1ncc(Cl)c(n1)-c1c[nH]c(c1)C(=O)N(C)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H24ClN5O2/c1-13(2)25-21-24-11-16(22)19(26-21)15-9-17(23-10-15)20(29)27(3)18(12-28)14-7-5-4-6-8-14/h4-11,13,18,23,28H,12H2,1-3H3,(H,24,25,26)/t18-/m1/s1
Affinity DataKi:  6nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92079(erk000505)
Show SMILES CN(C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H24N6O2/c1-13-10-22-20(25-26(2)3)24-18(13)15-9-16(21-11-15)19(28)23-17(12-27)14-7-5-4-6-8-14/h4-11,17,21,27H,12H2,1-3H3,(H,23,28)(H,22,24,25)/t17-/m1/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92161(erk000612)
Show SMILES Cc1cnc(N[C@H]2CCC[C@H]2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C23H26ClN5O3/c1-13-10-26-23(28-17-6-3-7-20(17)31)29-21(13)15-9-18(25-11-15)22(32)27-19(12-30)14-4-2-5-16(24)8-14/h2,4-5,8-11,17,19-20,25,30-31H,3,6-7,12H2,1H3,(H,27,32)(H,26,28,29)/t17-,19+,20+/m0/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92171(erk000624)
Show SMILES Cc1cnc(NN2CCCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN6O2/c1-14-11-25-22(28-29-7-2-3-8-29)27-20(14)16-10-18(24-12-16)21(31)26-19(13-30)15-5-4-6-17(23)9-15/h4-6,9-12,19,24,30H,2-3,7-8,13H2,1H3,(H,26,31)(H,25,27,28)/t19-/m1/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92235(erk000703)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28Cl2N6O4/c1-2-37-25(36)33-8-6-18(7-9-33)30-24-29-13-19(27)22(32-24)16-11-20(28-12-16)23(35)31-21(14-34)15-4-3-5-17(26)10-15/h3-5,10-13,18,21,28,34H,2,6-9,14H2,1H3,(H,31,35)(H,29,30,32)/t21-/m1/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92134(erk000578)
Show SMILES Cc1cnc(NCCc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c1-18-15-29-26(27-13-12-19-8-4-2-5-9-19)31-24(18)21-14-22(28-16-21)25(33)30-23(17-32)20-10-6-3-7-11-20/h2-11,14-16,23,28,32H,12-13,17H2,1H3,(H,30,33)(H,27,29,31)/t23-/m1/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92139(erk000585)
Show SMILES Cc1ccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-8-20(9-7-15)29-25-28-12-16(2)23(31-25)18-11-21(27-13-18)24(33)30-22(14-32)17-4-3-5-19(26)10-17/h3-13,22,27,32H,14H2,1-2H3,(H,30,33)(H,28,29,31)/t22-/m1/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92050(erk000465)
Show SMILES Cc1cnc(N[C@H]2CCCC[C@H]2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H29N5O3/c1-15-12-26-24(28-18-9-5-6-10-21(18)31)29-22(15)17-11-19(25-13-17)23(32)27-20(14-30)16-7-3-2-4-8-16/h2-4,7-8,11-13,18,20-21,25,30-31H,5-6,9-10,14H2,1H3,(H,27,32)(H,26,28,29)/t18-,20+,21+/m0/s1
Affinity DataKi:  7.10nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92150(erk000601)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2cccc(F)c2C)ncc1C
Show InChI InChI=1S/C26H26FN5O2/c1-15-6-4-7-18(10-15)23(14-33)30-25(34)22-11-19(13-28-22)24-16(2)12-29-26(32-24)31-21-9-5-8-20(27)17(21)3/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
Affinity DataKi:  7.90nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92198(erk000657)
Show SMILES Cc1cnc(Nc2ccc(Cl)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H21Cl2N5O2/c1-14-11-28-24(30-19-8-7-17(25)10-18(19)26)31-22(14)16-9-20(27-12-16)23(33)29-21(13-32)15-5-3-2-4-6-15/h2-12,21,27,32H,13H2,1H3,(H,29,33)(H,28,30,31)/t21-/m1/s1
Affinity DataKi:  7.90nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92143(erk000591)
Show SMILES Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H21F2N5O4/c1-14-11-29-24(31-17-8-5-9-20-22(17)36-25(26,27)35-20)32-21(14)16-10-18(28-12-16)23(34)30-19(13-33)15-6-3-2-4-7-15/h2-12,19,28,33H,13H2,1H3,(H,30,34)(H,29,31,32)/t19-/m1/s1
Affinity DataKi:  7.90nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92213(erk000675)
Show SMILES Cc1cnc(N[C@@H](CO)CC(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClF3N5O3/c1-12-8-28-21(29-16(10-32)7-22(24,25)26)31-19(12)14-6-17(27-9-14)20(34)30-18(11-33)13-3-2-4-15(23)5-13/h2-6,8-9,16,18,27,32-33H,7,10-11H2,1H3,(H,30,34)(H,28,29,31)/t16-,18-/m1/s1
Affinity DataKi:  7.90nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
<< First | Previous | Displayed 51 to 100 (of 298 total ) | Next | Last >>* indicates data uncertainty>20%