Compile Data Set for Download or QSAR
Found 51 of ic50 for UniProtKB: P23458
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174018(US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(7H-pyrrol...)
Show SMILES CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-12(20)7-14(11)15-8-25(9-16(15)17(21)26)19-13-5-6-22-18(13)23-10-24-19/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24)
Affinity DataIC50: 1nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174031(US9688661, 2-(5-Chloro-2-ethylphenyl)-N-methyl-5-[...)
Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O
Show InChI InChI=1S/C19H20ClN5O/c1-4-11-5-6-12(20)7-13(11)18-14(19(21)26)8-16(25(18)3)15-9-17(22-2)24-10-23-15/h5-10H,4H2,1-3H3,(H2,21,26)(H,22,23,24)
Affinity DataIC50: 1nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069326(CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)
Affinity DataIC50: 3nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069316(CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...)
Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26)
Affinity DataIC50: 4nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174032(US9688661, 2-(5-Chloro-2-ethylphenyl)-N-methyl-5-(...)
Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O
Show InChI InChI=1S/C20H18ClN5O/c1-3-11-4-5-12(21)8-14(11)18-15(19(22)27)9-16(26(18)2)17-13-6-7-23-20(13)25-10-24-17/h4-10H,3H2,1-2H3,(H2,22,27)(H,23,24,25)
Affinity DataIC50: 6nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174037(US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...)
Show SMILES CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O/c1-3-11-4-5-12(21(22,23)24)8-14(11)18-15(19(25)30)9-16(29(18)2)17-13-6-7-26-20(13)28-10-27-17/h4-10H,3H2,1-2H3,(H2,25,30)(H,26,27,28)
Affinity DataIC50: 6nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173996(US9688661, 2-(5-Chloro-2-ethylphenyl)-5-(7H-pyrrol...)
Show SMILES CCc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H15ClN5O/c1-2-10-3-4-11(20)7-13(10)16-14(18(21)26)8-15(25-16)17-12-5-6-22-19(12)24-9-23-17/h3-9H,2H2,1H3,(H2,21,26)(H,22,23,24)
Affinity DataIC50: 7nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174014(US9688661, 1-(5-Chloro-2-methylphenyl)-4-(6,7-dihy...)
Show SMILES Cc1ccc(Cl)cc1-n1cn(cc1C(N)=O)-c1ncnc2CCNc12
Affinity DataIC50: 8nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173984(US9688661, 2-(5-Chloro-2-ethylphenyl)-5-[6-(methyl...)
Show SMILES CNc1cc(ncn1)-c1cc(C(N)=O)c(n1)-c1cc(Cl)ccc1C
Show InChI InChI=1S/C17H15ClN5O/c1-9-3-4-10(18)5-11(9)16-12(17(19)24)6-14(23-16)13-7-15(20-2)22-8-21-13/h3-8H,1-2H3,(H2,19,24)(H,20,21,22)
Affinity DataIC50: 8nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173987(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1cc(N)ncn1
Show InChI InChI=1S/C17H15ClN5O/c1-2-9-3-4-10(18)5-11(9)16-12(17(20)24)6-14(23-16)13-7-15(19)22-8-21-13/h3-8H,2H2,1H3,(H2,20,24)(H2,19,21,22)
Affinity DataIC50: 8nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174020(US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(6,7-dihyd...)
Show SMILES CCc1ccc(Cl)cc1-n1cn(cc1C(N)=O)-c1ncnc2CCNc12
Affinity DataIC50: 8nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174034(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-ethyl-5-...)
Show SMILES CCc1ccc(cc1-c1c(cc(-c2cc(N)ncn2)n1C)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(24)28)7-15(27(17)2)14-8-16(23)26-9-25-14/h4-9H,3H2,1-2H3,(H2,24,28)(H2,23,25,26)
Affinity DataIC50: 9nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173973(US9688661, 3-(5-Chloro-2-ethylphenyl)-N-methyl-5-(...)
Show SMILES CCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O
Show InChI InChI=1S/C20H18ClN5O/c1-3-11-4-5-12(21)8-14(11)15-9-16(26(2)18(15)19(22)27)17-13-6-7-23-20(13)25-10-24-17/h4-10H,3H2,1-2H3,(H2,22,27)(H,23,24,25)
Affinity DataIC50: 11nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174036(US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...)
Show SMILES CCc1ccc(cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O/c1-4-11-5-6-12(20(21,22)23)7-13(11)18-14(19(24)29)8-16(28(18)3)15-9-17(25-2)27-10-26-15/h5-10H,4H2,1-3H3,(H2,24,29)(H,25,26,27)
Affinity DataIC50: 13nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173936(US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(7H-pyrrol...)
Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H14ClN5/c1-2-12-3-4-14(20)8-17(12)25-10-13(7-15(25)9-21)18-16-5-6-22-19(16)24-11-23-18/h3-8,10-11H,2H2,1H3,(H,22,23,24)
Affinity DataIC50: 14nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174007(US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...)
Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(23)28)7-15(27-17)14-8-16(24-2)26-9-25-14/h4-9H,3H2,1-2H3,(H2,23,28)(H,24,25,26)
Affinity DataIC50: 14nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173935(US9688661, 1-(5-Chloro-2-methylphenyl)-4-(7H-pyrro...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C#N)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H12ClN5/c1-11-2-3-13(19)7-16(11)24-9-12(6-14(24)8-20)17-15-4-5-21-18(15)23-10-22-17/h2-7,9-10H,1H3,(H,21,22,23)
Affinity DataIC50: 15nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173937(US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES Cc1ccc(Cl)cc1-c1cn(cc1C#N)-c1cc(N)ncn1
Show InChI InChI=1S/C16H12ClN5/c1-10-2-3-12(17)4-13(10)14-8-22(7-11(14)6-18)16-5-15(19)20-9-21-16/h2-5,7-9H,1H3,(H2,19,20,21)
Affinity DataIC50: 17nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173970(US9688661, 3-(5-Chloro-2-ethylphenyl)-5-(7H-pyrrol...)
Show SMILES CCc1ccc(Cl)cc1-c1cc(nc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H15ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9H,2H2,1H3,(H2,21,26)(H,22,23,24)
Affinity DataIC50: 18nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173971(US9688661, 3-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...)
Show SMILES CCc1ccc(cc1-c1cc(nc1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C20H15F3N5O/c1-2-10-3-4-11(20(21,22)23)7-13(10)14-8-15(28-17(14)18(24)29)16-12-5-6-25-19(12)27-9-26-16/h3-9H,2H2,1H3,(H2,24,29)(H,25,26,27)
Affinity DataIC50: 19nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174029(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2cc(N)ncn2)n1C)C(=O)NC
Show InChI InChI=1S/C19H20ClN5O/c1-4-11-5-6-12(20)7-13(11)18-14(19(26)22-2)8-16(25(18)3)15-9-17(21)24-10-23-15/h5-10H,4H2,1-3H3,(H,22,26)(H2,21,23,24)
Affinity DataIC50: 19nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174008(US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...)
Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C20H15F3N5O/c1-2-10-3-4-11(20(21,22)23)7-13(10)16-14(18(24)29)8-15(28-16)17-12-5-6-25-19(12)27-9-26-17/h3-9H,2H2,1H3,(H2,24,29)(H,25,26,27)
Affinity DataIC50: 19nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173985(US9688661, 2-(5-Chloro-2-methylphenyl)-5-(7H-pyrro...)
Show SMILES Cc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H13ClN5O/c1-9-2-3-10(19)6-12(9)15-13(17(20)25)7-14(24-15)16-11-4-5-21-18(11)23-8-22-16/h2-8H,1H3,(H2,20,25)(H,21,22,23)
Affinity DataIC50: 20nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173979(US9688661, 3-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...)
Show SMILES CCc1ccc(cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O/c1-3-11-4-5-12(21(22,23)24)8-14(11)15-9-16(29(2)18(15)19(25)30)17-13-6-7-26-20(13)28-10-27-17/h4-10H,3H2,1-2H3,(H2,25,30)(H,26,27,28)
Affinity DataIC50: 25nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174004(US9688661, 2-[2-Methyl-5-(trifluoromethyl)phenyl]-...)
Show SMILES Cc1ccc(cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C19H13F3N5O/c1-9-2-3-10(19(20,21)22)6-12(9)15-13(17(23)28)7-14(27-15)16-11-4-5-24-18(11)26-8-25-16/h2-8H,1H3,(H2,23,28)(H,24,25,26)
Affinity DataIC50: 27nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174006(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-ethyl-5-...)
Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N5O/c1-2-9-3-4-10(18(19,20)21)5-11(9)16-12(17(23)27)6-14(26-16)13-7-15(22)25-8-24-13/h3-8H,2H2,1H3,(H2,23,27)(H2,22,24,25)
Affinity DataIC50: 33nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173968(US9688661, 3-(5-Chloro-2-methylphenyl)-5-(7H-pyrro...)
Show SMILES Cc1ccc(Cl)cc1-c1cc(nc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H13ClN5O/c1-9-2-3-10(19)6-12(9)13-7-14(24-16(13)17(20)25)15-11-4-5-21-18(11)23-8-22-15/h2-8H,1H3,(H2,20,25)(H,21,22,23)
Affinity DataIC50: 33nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173972(US9688661, 3-(5-Chloro-2-methylphenyl)-N-methyl-5-...)
Show SMILES Cc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O
Show InChI InChI=1S/C19H16ClN5O/c1-10-3-4-11(20)7-13(10)14-8-15(25(2)17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9H,1-2H3,(H2,21,26)(H,22,23,24)
Affinity DataIC50: 38nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174003(US9688661, 5-[6-(Methylamino)pyrimidin-4-yl]-2-[2-...)
Show SMILES CNc1cc(ncn1)-c1cc(C(N)=O)c(n1)-c1cc(ccc1C)C(F)(F)F
Show InChI InChI=1S/C18H15F3N5O/c1-9-3-4-10(18(19,20)21)5-11(9)16-12(17(22)27)6-14(26-16)13-7-15(23-2)25-8-24-13/h3-8H,1-2H3,(H2,22,27)(H,23,24,25)
Affinity DataIC50: 48nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173984(US9688661, 2-(5-Chloro-2-ethylphenyl)-5-[6-(methyl...)
Show SMILES CNc1cc(ncn1)-c1cc(C(N)=O)c(n1)-c1cc(Cl)ccc1C
Show InChI InChI=1S/C17H15ClN5O/c1-9-3-4-10(18)5-11(9)16-12(17(19)24)6-14(23-16)13-7-15(20-2)22-8-21-13/h3-8H,1-2H3,(H2,19,24)(H,20,21,22)
Affinity DataIC50: 52nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174027(US9688661, 4-(6-Aminopyrimidin-4-yl)-1-[2-ethyl-5-...)
Show SMILES CCc1ccc(cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N5O/c1-2-10-3-4-11(18(19,20)21)5-12(10)13-7-26(8-14(13)17(23)27)16-6-15(22)24-9-25-16/h3-9H,2H2,1H3,(H2,23,27)(H2,22,24,25)
Affinity DataIC50: 53nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174033(US9688661, 2-[2-Methyl-5-(trifluoromethyl)phenyl]-...)
Show SMILES Cc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C20H16F3N5O/c1-10-3-4-11(20(21,22)23)7-13(10)17-14(18(24)29)8-15(28(17)2)16-12-5-6-25-19(12)27-9-26-16/h3-9H,1-2H3,(H2,24,29)(H,25,26,27)
Affinity DataIC50: 63nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174015(US9688661, 4-(6-Aminopyrimidin-4-yl)-1-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1
Show InChI InChI=1S/C17H16ClN5O/c1-2-10-3-4-11(18)5-12(10)13-7-23(8-14(13)17(20)24)16-6-15(19)21-9-22-16/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22)
Affinity DataIC50: 79nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069344(CHEMBL3403537 | US9688661, 4-(5-Chloro-2-methylphe...)
Show SMILES Cc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-11(19)6-13(10)14-7-24(8-15(14)16(20)25)18-12-4-5-21-17(12)22-9-23-18/h2-9H,1H3,(H2,20,25)(H,21,22,23)
Affinity DataIC50: 85nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174017(US9688661, 1-(5-Chloro-2-ethylphenyl)-4-[6-(methyl...)
Show SMILES CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1cc(NC)ncn1
Show InChI InChI=1S/C18H18ClN5O/c1-3-11-4-5-12(19)6-13(11)14-8-24(9-15(14)18(20)25)17-7-16(21-2)22-10-23-17/h4-10H,3H2,1-2H3,(H2,20,25)(H,21,22,23)
Affinity DataIC50: 93nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173999(US9688661, 2-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES CNc1cc(ncn1)-c1cc(C(N)=O)c(n1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N5O/c1-23-14-6-12(24-7-25-14)13-5-10(16(22)27)15(26-13)9-4-8(17(19,20)21)2-3-11(9)18/h2-7H,1H3,(H2,22,27)(H,23,24,25)
Affinity DataIC50: 104nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174002(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-methyl-5...)
Show SMILES Cc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N5O/c1-8-2-3-9(17(18,19)20)4-10(8)15-11(16(22)26)5-13(25-15)12-6-14(21)24-7-23-12/h2-7H,1H3,(H2,22,26)(H2,21,23,24)
Affinity DataIC50: 108nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173986(US9688661, 2-(5-Chloro-2-methylphenyl)-5-(1H-pyrro...)
Show SMILES Cc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1nc[nH]c2nccc12
Show InChI InChI=1S/C18H13ClN5O/c1-9-2-3-10(19)6-12(9)15-13(17(20)25)7-14(24-15)16-11-4-5-21-18(11)23-8-22-16/h2-8H,1H3,(H2,20,25)(H,21,22,23)
Affinity DataIC50: 111nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069321(CHEMBL3403546 | US9688661, 1-(5-Chloro-2-ethylphen...)
Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnn2cccc12
Show InChI InChI=1S/C19H16ClN5O/c1-2-12-5-6-14(20)9-16(12)24-10-13(8-17(24)19(21)26)18-15-4-3-7-25(15)23-11-22-18/h3-11H,2H2,1H3,(H2,21,26)
Affinity DataIC50: 134nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173980(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-(5-chloro-2...)
Show SMILES Cc1ccc(Cl)cc1-c1nc(-c2cc(N)ncn2)n(C)c1C(N)=O
Show InChI InChI=1S/C16H15ClN6O/c1-8-3-4-9(17)5-10(8)13-14(15(19)24)23(2)16(22-13)11-6-12(18)21-7-20-11/h3-7H,1-2H3,(H2,19,24)(H2,18,20,21)
Affinity DataIC50: 139nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174001(US9688661, 2-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES NC(=O)c1cc(nc1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H10ClF3N5O/c19-12-2-1-8(18(20,21)22)5-10(12)14-11(16(23)28)6-13(27-14)15-9-3-4-24-17(9)26-7-25-15/h1-7H,(H2,23,28)(H,24,25,26)
Affinity DataIC50: 140nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173933(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-c1nc(cc1C#N)-c1cc(N)ncn1
Show InChI InChI=1S/C17H13ClN5/c1-2-10-3-4-12(18)6-13(10)17-11(8-19)5-15(23-17)14-7-16(20)22-9-21-14/h3-7,9H,2H2,1H3,(H2,20,21,22)
Affinity DataIC50: 141nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173997(US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-chloro-5...)
Show SMILES NC(=O)c1cc(nc1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1
Show InChI InChI=1S/C16H10ClF3N5O/c17-10-2-1-7(16(18,19)20)3-8(10)14-9(15(22)26)4-12(25-14)11-5-13(21)24-6-23-11/h1-6H,(H2,22,26)(H2,21,23,24)
Affinity DataIC50: 167nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174025(US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES NC(=O)c1cn(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2C=NCc12
Affinity DataIC50: 212nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174012(US9688661, 1-(5-chloro-2-methylphenyl)-4-(1H-pyraz...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2CN=Cc12
Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)5-15(10)24-8-11(4-16(24)18(20)25)17-13-6-21-7-14(13)22-9-23-17/h2-6,8-9H,7H2,1H3,(H2,20,25)
Affinity DataIC50: 315nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM174024(US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]cnc12
Show InChI InChI=1S/C17H10ClF3N6O/c18-10-2-1-9(17(19,20)21)4-11(10)27-5-8(3-12(27)15(22)28)13-14-16(25-6-23-13)26-7-24-14/h1-7H,(H2,22,28)(H,23,24,25,26)
Affinity DataIC50: 386nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069325(CHEMBL3403542 | US9688661, 1-(5-chloro-2-methylphe...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnn2cccc12
Show InChI InChI=1S/C18H14ClN5O/c1-11-4-5-13(19)8-15(11)23-9-12(7-16(23)18(20)25)17-14-3-2-6-24(14)22-10-21-17/h2-10H,1H3,(H2,20,25)
Affinity DataIC50: 396nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069328(CHEMBL3403539 | US9688661, 4-(6-aminopyrimidin-4-y...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1cc(N)ncn1
Show InChI InChI=1S/C16H14ClN5O/c1-9-2-3-11(17)5-13(9)22-7-10(4-14(22)16(19)23)12-6-15(18)21-8-20-12/h2-8H,1H3,(H2,19,23)(H2,18,20,21)
Affinity DataIC50: 595nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM173934(US9688661, 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1cc(N)ncn1
Show InChI InChI=1S/C17H14ClN5/c1-2-11-3-4-13(18)6-16(11)23-9-12(5-14(23)8-19)15-7-17(20)22-10-21-15/h3-7,9-10H,2H2,1H3,(H2,20,21,22)
Affinity DataIC50: 869nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [861-1152](Homo sapiens (Human))
Nerviano Medical Sciences srl

US Patent
LigandPNGBDBM50069312(CHEMBL3403550 | US9688661, 1-[2-chloro-5-(trifluor...)
Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnn2cccc12
Show InChI InChI=1S/C18H11ClF3N5O/c19-12-4-3-11(18(20,21)22)7-14(12)26-8-10(6-15(26)17(23)28)16-13-2-1-5-27(13)25-9-24-16/h1-9H,(H2,23,28)
Affinity DataIC50: 991nMAssay Description:Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...More data for this Ligand-Target Pair
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