Compile Data Set for Download or QSAR
Found 329 with Last Name = 'hollingshead' and Initial = 'bd'
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305808(2,2′-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyra...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Show InChI InChI=1S/C20H18N10/c1-27-10-15(8-24-27)17-12-29-18(2-6-23-29)19(26-17)16-9-25-30(11-16)20(3-4-21)13-28(14-20)7-5-22/h2,6,8-12H,3,7,13-14H2,1H3
Affinity DataIC50: 7nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305812(2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548375(CHEMBL4781984)
Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548373(CHEMBL4791733)
Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1
Affinity DataIC50: 9nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548371(CHEMBL4777969)
Show SMILES Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-7-3-16(26-27)17-13-28-18(2-6-23-28)19(25-17)15-11-24-29(12-15)20(4-5-21)8-14(9-20)10-22/h2-3,6-7,11-14H,4,8-9H2,1H3/t14-,20+
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548379(CHEMBL4778704)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC(F)(F)F)C1
Show InChI InChI=1S/C20H18F3N9/c1-29-8-14(6-26-29)16-10-31-17(2-5-25-31)18(28-16)15-7-27-32(9-15)19(3-4-24)11-30(12-19)13-20(21,22)23/h2,5-10H,3,11-13H2,1H3
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 13nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 13nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 14nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 14nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

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 DataIC50: 15nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305821((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

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 DataIC50: 15nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305817(2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+
Affinity DataIC50: 16nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 16nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 16nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329926(US10463675, Example 9 | US10980815, Ex. No. 9 | US...)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
Affinity DataIC50: 19nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329926(US10463675, Example 9 | US10980815, Ex. No. 9 | US...)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
Affinity DataIC50: 19nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
Affinity DataIC50: 21nMAssay Description:Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDY...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305816(2-((1r,3s)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20-
Affinity DataIC50: 22nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548375(CHEMBL4781984)
Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1
Affinity DataIC50: 22nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
Affinity DataIC50: 22nMAssay Description:Inhibition of JAK2 homodimer signaling pathway in human whole blood spiked with CD34 +ve cells assessed as reduction in EPO induced STAT5 phosphoryla...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548375(CHEMBL4781984)
Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1
Affinity DataIC50: 22nMAssay Description:Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDY...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529610(CHEMBL4519857)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3C[C@H]2CN3C(=O)CC#N)cc1
Show InChI InChI=1S/C21H23N7O2/c1-2-23-20(30)14-3-5-15(6-4-14)25-21-24-10-8-18(26-21)27-12-17-11-16(27)13-28(17)19(29)7-9-22/h3-6,8,10,16-17H,2,7,11-13H2,1H3,(H,23,30)(H,24,25,26)/t16-,17-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529610(CHEMBL4519857)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3C[C@H]2CN3C(=O)CC#N)cc1
Show InChI InChI=1S/C21H23N7O2/c1-2-23-20(30)14-3-5-15(6-4-14)25-21-24-10-8-18(26-21)27-12-17-11-16(27)13-28(17)19(29)7-9-22/h3-6,8,10,16-17H,2,7,11-13H2,1H3,(H,23,30)(H,24,25,26)/t16-,17-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305813(2,2′-((1r,3r)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@H](CC#N)C1
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21-
Affinity DataIC50: 24nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548372(CHEMBL4750448)
Show SMILES N#CC[C@@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1
Affinity DataIC50: 26nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 28nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 28nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548373(CHEMBL4791733)
Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1
Affinity DataIC50: 31nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529619(CHEMBL4587406)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H28N6O2/c1-2-24-21(30)15-5-7-17(8-6-15)26-23-25-12-11-20(27-23)28-13-18-9-10-19(14-28)29(18)22(31)16-3-4-16/h5-8,11-12,16,18-19H,2-4,9-10,13-14H2,1H3,(H,24,30)(H,25,26,27)/t18-,19+
Affinity DataIC50: 32nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529619(CHEMBL4587406)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H28N6O2/c1-2-24-21(30)15-5-7-17(8-6-15)26-23-25-12-11-20(27-23)28-13-18-9-10-19(14-28)29(18)22(31)16-3-4-16/h5-8,11-12,16,18-19H,2-4,9-10,13-14H2,1H3,(H,24,30)(H,25,26,27)/t18-,19+
Affinity DataIC50: 32nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305808(2,2′-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyra...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Show InChI InChI=1S/C20H18N10/c1-27-10-15(8-24-27)17-12-29-18(2-6-23-29)19(26-17)16-9-25-30(11-16)20(3-4-21)13-28(14-20)7-5-22/h2,6,8-12H,3,7,13-14H2,1H3
Affinity DataIC50: 37nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM305812(2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+
Affinity DataIC50: 38nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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 DataIC50: 38nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
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 DataIC50: 38nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548381(CHEMBL4761611)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC2CC2)C1
Show InChI InChI=1S/C22H23N9/c1-28-11-17(8-25-28)19-13-30-20(4-7-24-30)21(27-19)18-9-26-31(12-18)22(5-6-23)14-29(15-22)10-16-2-3-16/h4,7-9,11-13,16H,2-3,5,10,14-15H2,1H3
Affinity DataIC50: 40nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548373(CHEMBL4791733)
Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1
Affinity DataIC50: 43nMAssay Description:Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDY...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548374(CHEMBL4740831)
Show SMILES N#CC[C@@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1
Affinity DataIC50: 44nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548371(CHEMBL4777969)
Show SMILES Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-7-3-16(26-27)17-13-28-18(2-6-23-28)19(25-17)15-11-24-29(12-15)20(4-5-21)8-14(9-20)10-22/h2-3,6-7,11-14H,4,8-9H2,1H3/t14-,20+
Affinity DataIC50: 45nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50548380(CHEMBL4740088)
Show SMILES CCN1CC(CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Show InChI InChI=1S/C20H21N9/c1-3-27-13-20(14-27,5-6-21)29-11-16(9-24-29)19-18-4-7-22-28(18)12-17(25-19)15-8-23-26(2)10-15/h4,7-12H,3,5,13-14H2,1-2H3
Affinity DataIC50: 46nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529615(CHEMBL4445892)
Show SMILES CCNC(=O)c1ncc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1C
Show InChI InChI=1S/C23H28FN7O2/c1-3-25-21(32)19-13(2)8-15(9-26-19)28-23-27-10-18(24)20(29-23)30-11-16-6-7-17(12-30)31(16)22(33)14-4-5-14/h8-10,14,16-17H,3-7,11-12H2,1-2H3,(H,25,32)(H,27,28,29)/t16-,17+
Affinity DataIC50: 48nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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