Compile Data Set for Download or QSAR

Found 106 hits of ic50 for UniProtKB: P52333   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458857 (US10759793, Example 10) Show SMILES CN(C)CCOc1nc(nc(N[C@@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:12.11,15.15,(-9.31,1.86,;-7.8,1.54,;-7.32,.08,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C23H28FN7O/c1-30(2)13-14-32-23-20(24)22(27-17-8-6-16(7-9-17)10-11-25)28-21(29-23)18-15-26-31-12-4-3-5-19(18)31/h3-5,12,15-17H,6-10,13-14H2,1-2H3,(H,27,28,29)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458863 (US10759793, Example 16) Show SMILES CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C23H26FN7O3/c1-2-33-12-13-34-23-20(24)22(27-16-6-5-10-30(15-16)19(32)8-9-25)28-21(29-23)17-14-26-31-11-4-3-7-18(17)31/h3-4,7,11,14,16H,2,5-6,8,10,12-13,15H2,1H3,(H,27,28,29)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458864 (US10759793, Example 17) Show SMILES OCc1ccc(cc1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C26H24FN7O2/c27-23-24(18-8-6-17(16-35)7-9-18)31-25(20-14-29-34-13-2-1-5-21(20)34)32-26(23)30-19-4-3-12-33(15-19)22(36)10-11-28/h1-2,5-9,13-14,19,35H,3-4,10,12,15-16H2,(H,30,31,32)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458867 (US10759793, Example 20) Show SMILES Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O/c1-16-13-17(8-10-28-16)23-22(26)25(30-18-5-4-11-33(15-18)21(35)7-9-27)32-24(31-23)19-14-29-34-12-3-2-6-20(19)34/h2-3,6,8,10,12-14,18H,4-5,7,11,15H2,1H3,(H,30,31,32)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458890 (US10759793, Example 42) Show SMILES COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C19H21FN6O3/c1-29-19-16(20)18(22-12-5-4-7-25(10-12)15(28)11-27)23-17(24-19)13-9-21-26-8-3-2-6-14(13)26/h2-3,6,8-9,12,27H,4-5,7,10-11H2,1H3,(H,22,23,24)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458962 (US10759793, Example 106) Show SMILES Oc1cncc(c1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C24H22N8O2/c25-7-6-23(34)31-8-3-4-17(15-31)28-22-11-20(16-10-18(33)13-26-12-16)29-24(30-22)19-14-27-32-9-2-1-5-21(19)32/h1-2,5,9-14,17,33H,3-4,6,8,15H2,(H,28,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458933 (US10759793, Example 78) Show SMILES OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O2/c26-22-23(16-7-9-28-18(12-16)15-35)31-24(19-13-29-34-11-2-1-5-20(19)34)32-25(22)30-17-4-3-10-33(14-17)21(36)6-8-27/h1-2,5,7,9,11-13,17,35H,3-4,6,10,14-15H2,(H,30,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458942 (US10759793, Example 86) Show SMILES Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H26FN7O2/c1-15-10-17(11-16(2)28-15)23-22(26)25(29-18-6-5-8-32(13-18)21(35)14-34)31-24(30-23)19-12-27-33-9-4-3-7-20(19)33/h3-4,7,9-12,18,34H,5-6,8,13-14H2,1-2H3,(H,29,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458953 (US10759793, Example 97) Show SMILES COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C22H25N7O3/c1-31-11-12-32-20-13-19(25-16-5-4-9-28(15-16)21(30)7-8-23)26-22(27-20)17-14-24-29-10-3-2-6-18(17)29/h2-3,6,10,13-14,16H,4-5,7,9,11-12,15H2,1H3,(H,25,26,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458957 (US10759793, Example 101) Show SMILES Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C25H27N7O2/c1-16-10-18(11-17(2)27-16)21-12-23(28-19-6-5-8-31(14-19)24(34)15-33)30-25(29-21)20-13-26-32-9-4-3-7-22(20)32/h3-4,7,9-13,19,33H,5-6,8,14-15H2,1-2H3,(H,28,29,30)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458959 (US10759793, Example 103) Show SMILES OCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C21H23N7O3/c22-7-6-20(30)27-8-3-4-15(14-27)24-18-12-19(31-11-10-29)26-21(25-18)16-13-23-28-9-2-1-5-17(16)28/h1-2,5,9,12-13,15,29H,3-4,6,8,10-11,14H2,(H,24,25,26)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458960 (US10759793, Example 104) Show SMILES OCCOc1cc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H23N9O2/c24-11-17-12-26-21(14-25-17)31-6-3-4-16(15-31)28-20-10-22(34-9-8-33)30-23(29-20)18-13-27-32-7-2-1-5-19(18)32/h1-2,5,7,10,12-14,16,33H,3-4,6,8-9,15H2,(H,28,29,30)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458861 (US10759793, Example 14) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C21H22FN7O3/c22-18-20(25-14-4-3-8-28(13-14)17(31)6-7-23)26-19(27-21(18)32-11-10-30)15-12-24-29-9-2-1-5-16(15)29/h1-2,5,9,12,14,30H,3-4,6,8,10-11,13H2,(H,25,26,27)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458891 (US10759793, Example 43) Show SMILES OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(O)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C18H19FN6O3/c19-15-17(21-11-4-3-6-24(9-11)14(27)10-26)22-16(23-18(15)28)12-8-20-25-7-2-1-5-13(12)25/h1-2,5,7-8,11,26H,3-4,6,9-10H2,(H2,21,22,23,28)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458852 (US10759793, Example 5) Show SMILES OCCOc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:13.13,wD:10.9,(-6.69,6.76,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C21H23FN6O2/c22-18-20(25-15-6-4-14(5-7-15)8-9-23)26-19(27-21(18)30-12-11-29)16-13-24-28-10-2-1-3-17(16)28/h1-3,10,13-15,29H,4-8,11-12H2,(H,25,26,27)/t14-,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458854 (US10759793, Example 7) Show SMILES OC[C@@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:2.2,15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C22H25FN6O3/c23-19-21(26-15-6-4-14(5-7-15)8-9-24)27-20(28-22(19)32-13-16(31)12-30)17-11-25-29-10-2-1-3-18(17)29/h1-3,10-11,14-16,30-31H,4-8,12-13H2,(H,26,27,28)/t14-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458862 (US10759793, Example 15) Show SMILES CCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C23H26FN7O2/c1-2-3-13-33-23-20(24)22(27-16-7-6-11-30(15-16)19(32)9-10-25)28-21(29-23)17-14-26-31-12-5-4-8-18(17)31/h4-5,8,12,14,16H,2-3,6-7,9,11,13,15H2,1H3,(H,27,28,29)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458865 (US10759793, Example 18) Show SMILES Nc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C24H22FN9O/c25-21-22(15-6-7-19(27)28-12-15)31-23(17-13-29-34-11-2-1-5-18(17)34)32-24(21)30-16-4-3-10-33(14-16)20(35)8-9-26/h1-2,5-7,11-13,16H,3-4,8,10,14H2,(H2,27,28)(H,30,31,32)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458866 (US10759793, Example 19) Show SMILES COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O2/c1-36-20-8-7-16(13-28-20)23-22(26)25(30-17-5-4-11-33(15-17)21(35)9-10-27)32-24(31-23)18-14-29-34-12-3-2-6-19(18)34/h2-3,6-8,12-14,17H,4-5,9,11,15H2,1H3,(H,30,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458872 (US10759793, Example 25) Show SMILES CN1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C23H29FN8O2/c1-29-9-11-30(12-10-29)23-20(24)22(26-16-5-4-7-31(14-16)19(34)15-33)27-21(28-23)17-13-25-32-8-3-2-6-18(17)32/h2-3,6,8,13,16,33H,4-5,7,9-12,14-15H2,1H3,(H,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458878 (US10759793, Example 30) Show SMILES CCOC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C27H31FN8O3/c1-2-39-27(38)18-9-14-34(15-10-18)26-23(28)25(31-19-6-5-12-35(17-19)22(37)8-11-29)32-24(33-26)20-16-30-36-13-4-3-7-21(20)36/h3-4,7,13,16,18-19H,2,5-6,8-10,12,14-15,17H2,1H3,(H,31,32,33)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458879 (US10759793, Example 31) Show SMILES OC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H27FN8O3/c26-21-23(29-17-4-3-10-33(15-17)20(35)6-9-27)30-22(18-14-28-34-11-2-1-5-19(18)34)31-24(21)32-12-7-16(8-13-32)25(36)37/h1-2,5,11,14,16-17H,3-4,6-8,10,12-13,15H2,(H,36,37)(H,29,30,31)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458881 (US10759793, Example 33) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H29FN8O3/c1-25(2,37)15-33-12-16(10-27-33)22-21(26)24(29-17-6-5-8-32(13-17)20(36)14-35)31-23(30-22)18-11-28-34-9-4-3-7-19(18)34/h3-4,7,9-12,17,35,37H,5-6,8,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458883 (US10759793, Example 35) Show SMILES COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O3/c1-35-19-8-7-15(11-26-19)22-21(25)24(28-16-5-4-9-31(13-16)20(34)14-33)30-23(29-22)17-12-27-32-10-3-2-6-18(17)32/h2-3,6-8,10-12,16,33H,4-5,9,13-14H2,1H3,(H,28,29,30)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458884 (US10759793, Example 36) Show SMILES Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O2/c1-15-7-8-16(11-26-15)22-21(25)24(28-17-5-4-9-31(13-17)20(34)14-33)30-23(29-22)18-12-27-32-10-3-2-6-19(18)32/h2-3,6-8,10-12,17,33H,4-5,9,13-14H2,1H3,(H,28,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458888 (US10759793, Example 40) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C20H23FN6O4/c21-17-19(23-13-4-3-6-26(11-13)16(30)12-29)24-18(25-20(17)31-9-8-28)14-10-22-27-7-2-1-5-15(14)27/h1-2,5,7,10,13,28-29H,3-4,6,8-9,11-12H2,(H,23,24,25)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458908 (US10759793, Example 54) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C23H22FN9O2/c24-20-22(29-15-4-3-6-32(14-15)19-13-26-16(10-25)11-27-19)30-21(31-23(20)35-9-8-34)17-12-28-33-7-2-1-5-18(17)33/h1-2,5,7,11-13,15,34H,3-4,6,8-9,14H2,(H,29,30,31)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458911 (US10759793, Example 57) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2ncc(cn2)C#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C23H22FN9O2/c24-19-21(29-16-4-3-6-32(14-16)23-26-11-15(10-25)12-27-23)30-20(31-22(19)35-9-8-34)17-13-28-33-7-2-1-5-18(17)33/h1-2,5,7,11-13,16,34H,3-4,6,8-9,14H2,(H,29,30,31)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458936 (US10759793, Example 81) Show SMILES CN(C)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H27FN8O2/c1-32(2)20-9-8-16(12-27-20)23-22(26)25(29-17-6-5-10-33(14-17)21(36)15-35)31-24(30-23)18-13-28-34-11-4-3-7-19(18)34/h3-4,7-9,11-13,17,35H,5-6,10,14-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458952 (US10759793, Example 96) Show SMILES COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C21H26N6O4/c1-30-9-10-31-19-11-18(23-15-5-4-7-26(13-15)20(29)14-28)24-21(25-19)16-12-22-27-8-3-2-6-17(16)27/h2-3,6,8,11-12,15,28H,4-5,7,9-10,13-14H2,1H3,(H,23,24,25)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458956 (US10759793, Example 100) Show SMILES Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C25H24N8O/c1-17-7-8-18(14-27-17)21-13-23(29-19-5-4-11-32(16-19)24(34)9-10-26)31-25(30-21)20-15-28-33-12-3-2-6-22(20)33/h2-3,6-8,12-15,19H,4-5,9,11,16H2,1H3,(H,29,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458848 (US10759793, Example 1) Show SMILES OC1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:16.17,wD:13.13,(-8.75,4.47,;-7.25,4.15,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-4.71,4.98,;-6.21,5.3,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C24H28FN7O/c25-21-23(28-17-6-4-16(5-7-17)8-11-26)29-22(19-15-27-32-12-2-1-3-20(19)32)30-24(21)31-13-9-18(33)10-14-31/h1-3,12,15-18,33H,4-10,13-14H2,(H,28,29,30)/t16-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458853 (US10759793, Example 6) Show SMILES OC[C@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:15.15,wD:2.2,12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C22H25FN6O3/c23-19-21(26-15-6-4-14(5-7-15)8-9-24)27-20(28-22(19)32-13-16(31)12-30)17-11-25-29-10-2-1-3-18(17)29/h1-3,10-11,14-16,30-31H,4-8,12-13H2,(H,26,27,28)/t14-,15-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458856 (US10759793, Example 9) Show SMILES CN(C)CCOc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-7.32,.08,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C23H28FN7O/c1-30(2)13-14-32-23-20(24)22(27-17-8-6-16(7-9-17)10-11-25)28-21(29-23)18-15-26-31-12-4-3-5-19(18)31/h3-5,12,15-17H,6-10,13-14H2,1-2H3,(H,27,28,29)/t16-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458858 (US10759793, Example 11) Show SMILES C[C@H](Nc1nc(nc(N2CCC(N)CC2)c1F)-c1cnn2ccccc12)c1ccc(F)cn1 Show InChI InChI=1S/C23H24F2N8/c1-14(18-6-5-15(24)12-27-18)29-22-20(25)23(32-10-7-16(26)8-11-32)31-21(30-22)17-13-28-33-9-3-2-4-19(17)33/h2-6,9,12-14,16H,7-8,10-11,26H2,1H3,(H,29,30,31)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458875 (US10759793, Example 27) Show SMILES COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12 Show InChI InChI=1S/C22H28N6O4/c1-15-20(24-16-6-5-8-27(13-16)19(30)14-29)25-21(26-22(15)32-11-10-31-2)17-12-23-28-9-4-3-7-18(17)28/h3-4,7,9,12,16,29H,5-6,8,10-11,13-14H2,1-2H3,(H,24,25,26)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458876 (US10759793, Example 28) Show SMILES CCOC(=O)C1(C)CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C27H34FN7O4/c1-3-39-26(38)27(2)9-13-33(14-10-27)25-22(28)24(30-18-7-6-11-34(16-18)21(37)17-36)31-23(32-25)19-15-29-35-12-5-4-8-20(19)35/h4-5,8,12,15,18,36H,3,6-7,9-11,13-14,16-17H2,1-2H3,(H,30,31,32)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458945 (US10759793, Example 89) Show SMILES OCc1cncc(c1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O2/c26-22-23(17-10-16(15-35)11-28-12-17)31-24(19-13-29-34-9-2-1-5-20(19)34)32-25(22)30-18-4-3-8-33(14-18)21(36)6-7-27/h1-2,5,9-13,18,35H,3-4,6,8,14-15H2,(H,30,31,32)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458889 (US10759793, Example 41) Show SMILES OCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C21H25FN6O4/c22-18-20(24-14-5-3-7-27(12-14)17(31)13-30)25-19(26-21(18)32-10-4-9-29)15-11-23-28-8-2-1-6-16(15)28/h1-2,6,8,11,14,29-30H,3-5,7,9-10,12-13H2,(H,24,25,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458893 (US10759793, Example 45) Show SMILES CCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C20H23FN6O3/c1-2-30-20-17(21)19(23-13-6-5-8-26(11-13)16(29)12-28)24-18(25-20)14-10-22-27-9-4-3-7-15(14)27/h3-4,7,9-10,13,28H,2,5-6,8,11-12H2,1H3,(H,23,24,25)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458902 (US10759793, Example 51) Show SMILES CC(C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C21H25FN6O3/c1-13(2)31-21-18(22)20(24-14-6-5-8-27(11-14)17(30)12-29)25-19(26-21)15-10-23-28-9-4-3-7-16(15)28/h3-4,7,9-10,13-14,29H,5-6,8,11-12H2,1-2H3,(H,24,25,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458906 (US10759793, Example 53) Show SMILES Fc1c(O[C@@H]2CCCN(C2)C(=O)CC#N)nc(nc1N1CCOCC1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H24FN7O3/c24-20-22(29-10-12-33-13-11-29)27-21(17-14-26-31-9-2-1-5-18(17)31)28-23(20)34-16-4-3-8-30(15-16)19(32)6-7-25/h1-2,5,9,14,16H,3-4,6,8,10-13,15H2/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458943 (US10759793, Example 87) Show SMILES Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C26H25FN8O/c1-16-12-18(13-17(2)30-16)24-23(27)26(31-19-6-5-10-34(15-19)22(36)8-9-28)33-25(32-24)20-14-29-35-11-4-3-7-21(20)35/h3-4,7,11-14,19H,5-6,8,10,15H2,1-2H3,(H,31,32,33)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458887 (US10759793, Example 39) Show SMILES COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C21H25FN6O4/c1-31-9-10-32-21-18(22)20(24-14-5-4-7-27(12-14)17(30)13-29)25-19(26-21)15-11-23-28-8-3-2-6-16(15)28/h2-3,6,8,11,14,29H,4-5,7,9-10,12-13H2,1H3,(H,24,25,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458946 (US10759793, Example 90) Show SMILES C[C@H](O)COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C21H24FN5O5/c1-13(29)12-31-20-18(22)21(32-14-5-4-7-26(10-14)17(30)11-28)25-19(24-20)15-9-23-27-8-3-2-6-16(15)27/h2-3,6,8-9,13-14,28-29H,4-5,7,10-12H2,1H3/t13-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458948 (US10759793, Example 92) Show SMILES CC(C)OC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C22H25FN6O4/c1-13(2)33-22(32)19-18(23)21(25-14-6-5-8-28(11-14)17(31)12-30)27-20(26-19)15-10-24-29-9-4-3-7-16(15)29/h3-4,7,9-10,13-14,30H,5-6,8,11-12H2,1-2H3,(H,25,26,27)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458849 (US10759793, Example 2) Show SMILES NC1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:16.17,wD:13.13,(-8.75,4.47,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C24H29FN8/c25-21-23(29-18-6-4-16(5-7-18)8-11-26)30-22(19-15-28-33-12-2-1-3-20(19)33)31-24(21)32-13-9-17(27)10-14-32/h1-3,12,15-18H,4-10,13-14,27H2,(H,29,30,31)/t16-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458850 (US10759793, Example 3) Show SMILES Fc1c(N[C@H]2CC[C@H](CC#N)CC2)nc(nc1N1CCNCC1)-c1cnn2ccccc12 |r,wU:7.7,wD:4.3,(-2.17,5.8,;-1.7,4.34,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;.29,2.55,;-.74,1.41,;-2.25,1.73,;-2.73,3.19,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C23H27FN8/c24-20-22(28-17-6-4-16(5-7-17)8-9-25)29-21(30-23(20)31-13-10-26-11-14-31)18-15-27-32-12-2-1-3-19(18)32/h1-3,12,15-17,26H,4-8,10-11,13-14H2,(H,28,29,30)/t16-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458851 (US10759793, Example 4) Show SMILES CN(C)C1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:18.19,wD:15.15,(-9.78,3.33,;-8.75,4.47,;-9.23,5.94,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C26H33FN8/c1-33(2)20-11-15-34(16-12-20)26-23(27)25(30-19-8-6-18(7-9-19)10-13-28)31-24(32-26)21-17-29-35-14-4-3-5-22(21)35/h3-5,14,17-20H,6-12,15-16H2,1-2H3,(H,30,31,32)/t18-,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [795-1124] (Homo sapiens (Human))	BDBM458859 (US10759793, Example 12) Show SMILES C[C@H](Nc1nc(nc(OCCO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1 Show InChI InChI=1S/C19H17F2N7O2/c1-11(16-22-8-12(20)9-23-16)25-18-15(21)19(30-7-6-29)27-17(26-18)13-10-24-28-5-3-2-4-14(13)28/h2-5,8-11,29H,6-7H2,1H3,(H,25,26,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair

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