Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'seitzberg' and Initial = 'jg'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539844 (CHEMBL4643061) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539841 (CHEMBL4639606) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)c4ccccc4)CC3)c12 |r,wU:10.9,wD:13.13,(43.22,-17.37,;43.69,-18.84,;42.78,-20.08,;43.69,-21.34,;45.16,-20.86,;46.5,-21.62,;47.83,-20.86,;49.17,-21.63,;47.83,-19.31,;46.5,-18.53,;46.51,-16.98,;45.18,-16.22,;45.19,-14.67,;46.53,-13.9,;46.53,-12.36,;45.2,-11.59,;43.87,-12.35,;45.21,-10.05,;46.46,-9.15,;45.99,-7.68,;44.45,-7.68,;43.97,-9.14,;43.57,-6.43,;44.21,-5.04,;43.32,-3.79,;41.8,-3.93,;41.16,-5.34,;42.05,-6.58,;47.85,-14.68,;47.85,-16.22,;45.16,-19.31,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(14-22(30)26-25(24)28-27-16)19-9-7-17(8-10-19)13-23(31)29-12-11-20(15-29)18-5-3-2-4-6-18/h2-6,14,17,19-20H,7-13,15H2,1H3,(H2,26,27,28,30)/t17-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539840 (CHEMBL4649484) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(Cc5ccccc5)C4)CC3)c12 |r,wU:10.9,wD:13.13,(29.55,-18.08,;30.02,-19.54,;29.11,-20.79,;30.02,-22.04,;31.49,-21.57,;32.83,-22.33,;34.16,-21.57,;35.5,-22.34,;34.16,-20.02,;32.83,-19.23,;32.84,-17.69,;31.51,-16.92,;31.51,-15.38,;32.85,-14.61,;32.86,-13.07,;31.53,-12.3,;30.19,-13.06,;31.54,-10.76,;32.63,-9.68,;31.54,-8.58,;31.55,-7.05,;32.89,-6.29,;34.22,-7.07,;35.55,-6.31,;35.56,-4.77,;34.23,-3.99,;32.89,-4.76,;30.45,-9.67,;34.18,-15.39,;34.18,-16.92,;31.49,-20.02,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(13-22(30)26-25(24)28-27-16)20-9-7-18(8-10-20)12-23(31)29-14-19(15-29)11-17-5-3-2-4-6-17/h2-6,13,18-20H,7-12,14-15H2,1H3,(H2,26,27,28,30)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539842 (CHEMBL4636507) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)| Show InChI InChI=1S/C22H32N4O2/c1-14-20-17(13-18(27)23-21(20)25-24-14)16-6-4-15(5-7-16)12-19(28)26-10-8-22(2,3)9-11-26/h13,15-16H,4-12H2,1-3H3,(H2,23,24,25,27)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159748 (US10966980, Example 2 | US9035074, 2) Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539831 (CHEMBL4639973) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(5.87,-30.13,;6.35,-31.59,;5.43,-32.83,;6.35,-34.08,;7.81,-33.61,;9.15,-34.37,;10.47,-33.61,;11.81,-34.38,;10.47,-32.07,;9.15,-31.28,;9.16,-29.74,;7.83,-28.98,;7.84,-27.44,;9.17,-26.67,;10.5,-27.45,;10.49,-28.98,;9.18,-25.13,;7.85,-24.36,;6.52,-25.12,;7.86,-22.82,;8.63,-21.49,;7.09,-21.48,;5.55,-21.48,;6.32,-20.15,;7.81,-32.07,)| Show InChI InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539843 (CHEMBL4647115) Show SMILES [H][C@]12C[C@@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539839 (CHEMBL4638030) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(20.46,-18.84,;20.93,-20.3,;20.02,-21.55,;20.93,-22.8,;22.41,-22.33,;23.74,-23.09,;25.07,-22.33,;26.41,-23.1,;25.07,-20.78,;23.74,-20,;23.75,-18.45,;22.42,-17.69,;22.43,-16.14,;23.77,-15.38,;23.77,-13.84,;22.44,-13.06,;21.11,-13.82,;22.45,-11.52,;23.7,-10.62,;23.23,-9.16,;21.69,-9.15,;21.21,-10.61,;20.81,-7.9,;19.91,-6.65,;25.09,-16.15,;25.09,-17.69,;22.41,-20.78,)| Show InChI InChI=1S/C20H25N5O2/c1-12-19-16(9-17(26)22-20(19)24-23-12)15-4-2-13(3-5-15)8-18(27)25-7-6-14(10-21)11-25/h9,13-15H,2-8,11H2,1H3,(H2,22,23,24,26)/t13-,14?,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539844 (CHEMBL4643061) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539833 (CHEMBL4632766) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)OC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(27.12,-30.36,;27.6,-31.82,;26.69,-33.06,;27.6,-34.31,;29.07,-33.84,;30.4,-34.6,;31.73,-33.84,;33.06,-34.61,;31.73,-32.3,;30.4,-31.51,;30.41,-29.97,;29.08,-29.21,;29.09,-27.66,;30.42,-26.9,;31.75,-27.68,;31.75,-29.21,;30.43,-25.36,;29.11,-24.59,;27.77,-25.35,;29.11,-23.05,;29.88,-21.72,;28.34,-21.71,;26.8,-21.71,;27.57,-20.38,;29.07,-32.3,)| Show InChI InChI=1S/C17H19F2N3O3/c1-8-14-11(6-13(23)20-15(14)22-21-8)9-2-4-10(5-3-9)25-16(24)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H2,20,21,22,23)/t9-,10-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539840 (CHEMBL4649484) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(Cc5ccccc5)C4)CC3)c12 |r,wU:10.9,wD:13.13,(29.55,-18.08,;30.02,-19.54,;29.11,-20.79,;30.02,-22.04,;31.49,-21.57,;32.83,-22.33,;34.16,-21.57,;35.5,-22.34,;34.16,-20.02,;32.83,-19.23,;32.84,-17.69,;31.51,-16.92,;31.51,-15.38,;32.85,-14.61,;32.86,-13.07,;31.53,-12.3,;30.19,-13.06,;31.54,-10.76,;32.63,-9.68,;31.54,-8.58,;31.55,-7.05,;32.89,-6.29,;34.22,-7.07,;35.55,-6.31,;35.56,-4.77,;34.23,-3.99,;32.89,-4.76,;30.45,-9.67,;34.18,-15.39,;34.18,-16.92,;31.49,-20.02,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(13-22(30)26-25(24)28-27-16)20-9-7-18(8-10-20)12-23(31)29-14-19(15-29)11-17-5-3-2-4-6-17/h2-6,13,18-20H,7-12,14-15H2,1H3,(H2,26,27,28,30)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539841 (CHEMBL4639606) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)c4ccccc4)CC3)c12 |r,wU:10.9,wD:13.13,(43.22,-17.37,;43.69,-18.84,;42.78,-20.08,;43.69,-21.34,;45.16,-20.86,;46.5,-21.62,;47.83,-20.86,;49.17,-21.63,;47.83,-19.31,;46.5,-18.53,;46.51,-16.98,;45.18,-16.22,;45.19,-14.67,;46.53,-13.9,;46.53,-12.36,;45.2,-11.59,;43.87,-12.35,;45.21,-10.05,;46.46,-9.15,;45.99,-7.68,;44.45,-7.68,;43.97,-9.14,;43.57,-6.43,;44.21,-5.04,;43.32,-3.79,;41.8,-3.93,;41.16,-5.34,;42.05,-6.58,;47.85,-14.68,;47.85,-16.22,;45.16,-19.31,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(14-22(30)26-25(24)28-27-16)19-9-7-17(8-10-19)13-23(31)29-12-11-20(15-29)18-5-3-2-4-6-18/h2-6,14,17,19-20H,7-13,15H2,1H3,(H2,26,27,28,30)/t17-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50539844 (CHEMBL4643061) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TYK2 catalytic domain (871 to 1187 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539845 (CHEMBL4634289) Show SMILES [H][C@]12C[C@@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@]([H])(C[C@@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539826 (CHEMBL4640029) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| Show InChI InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539842 (CHEMBL4636507) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)| Show InChI InChI=1S/C22H32N4O2/c1-14-20-17(13-18(27)23-21(20)25-24-14)16-6-4-15(5-7-16)12-19(28)26-10-8-22(2,3)9-11-26/h13,15-16H,4-12H2,1-3H3,(H2,23,24,25,27)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159748 (US10966980, Example 2 | US9035074, 2) Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539835 (CHEMBL4639048) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NS(=O)(=O)CC3CCC3)c12 |r,wU:10.9,wD:13.16,(47.71,-29.77,;48.18,-31.23,;47.27,-32.48,;48.18,-33.73,;49.65,-33.26,;50.99,-34.02,;52.32,-33.26,;53.66,-34.03,;52.32,-31.71,;50.99,-30.92,;51,-29.38,;49.67,-28.62,;49.67,-27.07,;51.01,-26.31,;52.34,-27.08,;52.34,-28.62,;51.02,-24.77,;49.69,-23.98,;48.91,-25.31,;48.15,-23.97,;49.7,-22.45,;48.37,-21.67,;47.98,-20.19,;46.49,-20.58,;46.88,-22.07,;49.65,-31.71,)| Show InChI InChI=1S/C18H26N4O3S/c1-11-17-15(9-16(23)19-18(17)21-20-11)13-5-7-14(8-6-13)22-26(24,25)10-12-3-2-4-12/h9,12-14,22H,2-8,10H2,1H3,(H2,19,20,21,23)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539825 (CHEMBL4645814) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC#N)CC3)c12 |r,wU:10.9,wD:13.13,(4.89,-10.9,;5.37,-12.37,;4.45,-13.61,;5.37,-14.86,;6.84,-14.39,;8.17,-15.15,;9.5,-14.39,;10.84,-15.16,;9.5,-12.84,;8.17,-12.06,;8.18,-10.52,;6.85,-9.75,;6.86,-8.21,;8.2,-7.44,;8.2,-5.9,;9.54,-5.14,;10.88,-4.38,;9.52,-8.22,;9.52,-9.75,;6.84,-12.84,)| Show InChI InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539815 (CHEMBL4640521) Show SMILES C[C@@H]1CCCC[C@@H]1c1cc(=O)[nH]c2n[nH]c(C)c12 |r| Show InChI InChI=1S/C14H19N3O/c1-8-5-3-4-6-10(8)11-7-12(18)15-14-13(11)9(2)16-17-14/h7-8,10H,3-6H2,1-2H3,(H2,15,16,17,18)/t8-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539816 (CHEMBL4645613) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H](C2)c1cc(=O)[nH]c2n[nH]c(C)c12 |r| Show InChI InChI=1S/C14H17N3O/c1-7-13-11(6-12(18)15-14(13)17-16-7)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H2,15,16,17,18)/t8-,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539817 (CHEMBL4636220) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@H](C2)c1cc(=O)[nH]c2n[nH]c(C)c12 |r| Show InChI InChI=1S/C14H17N3O/c1-7-13-11(6-12(18)15-14(13)17-16-7)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H2,15,16,17,18)/t8-,9+,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539842 (CHEMBL4636507) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)| Show InChI InChI=1S/C22H32N4O2/c1-14-20-17(13-18(27)23-21(20)25-24-14)16-6-4-15(5-7-16)12-19(28)26-10-8-22(2,3)9-11-26/h13,15-16H,4-12H2,1-3H3,(H2,23,24,25,27)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539841 (CHEMBL4639606) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)c4ccccc4)CC3)c12 |r,wU:10.9,wD:13.13,(43.22,-17.37,;43.69,-18.84,;42.78,-20.08,;43.69,-21.34,;45.16,-20.86,;46.5,-21.62,;47.83,-20.86,;49.17,-21.63,;47.83,-19.31,;46.5,-18.53,;46.51,-16.98,;45.18,-16.22,;45.19,-14.67,;46.53,-13.9,;46.53,-12.36,;45.2,-11.59,;43.87,-12.35,;45.21,-10.05,;46.46,-9.15,;45.99,-7.68,;44.45,-7.68,;43.97,-9.14,;43.57,-6.43,;44.21,-5.04,;43.32,-3.79,;41.8,-3.93,;41.16,-5.34,;42.05,-6.58,;47.85,-14.68,;47.85,-16.22,;45.16,-19.31,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(14-22(30)26-25(24)28-27-16)19-9-7-17(8-10-19)13-23(31)29-12-11-20(15-29)18-5-3-2-4-6-18/h2-6,14,17,19-20H,7-13,15H2,1H3,(H2,26,27,28,30)/t17-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50193995 (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 |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TYK2 catalytic domain (871 to 1187 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539813 (CHEMBL4640335) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CCCC3)c12 Show InChI InChI=1S/C12H15N3O/c1-7-11-9(8-4-2-3-5-8)6-10(16)13-12(11)15-14-7/h6,8H,2-5H2,1H3,(H2,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539844 (CHEMBL4643061) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539832 (CHEMBL4638953) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)[C@H]3CC3(F)F)c12 |r,wU:10.9,wD:13.16,19.19,(17.05,-29.9,;17.52,-31.36,;16.61,-32.61,;17.52,-33.86,;18.99,-33.38,;20.33,-34.14,;21.65,-33.38,;22.99,-34.15,;21.65,-31.84,;20.33,-31.05,;20.34,-29.51,;19.01,-28.75,;19.02,-27.21,;20.35,-26.44,;21.68,-27.22,;21.67,-28.75,;20.36,-24.9,;19.03,-24.13,;17.7,-24.89,;19.04,-22.59,;19.81,-21.26,;18.26,-21.25,;16.73,-21.25,;17.49,-19.92,;18.99,-31.84,)| Show InChI InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539844 (CHEMBL4643061) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539840 (CHEMBL4649484) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(Cc5ccccc5)C4)CC3)c12 |r,wU:10.9,wD:13.13,(29.55,-18.08,;30.02,-19.54,;29.11,-20.79,;30.02,-22.04,;31.49,-21.57,;32.83,-22.33,;34.16,-21.57,;35.5,-22.34,;34.16,-20.02,;32.83,-19.23,;32.84,-17.69,;31.51,-16.92,;31.51,-15.38,;32.85,-14.61,;32.86,-13.07,;31.53,-12.3,;30.19,-13.06,;31.54,-10.76,;32.63,-9.68,;31.54,-8.58,;31.55,-7.05,;32.89,-6.29,;34.22,-7.07,;35.55,-6.31,;35.56,-4.77,;34.23,-3.99,;32.89,-4.76,;30.45,-9.67,;34.18,-15.39,;34.18,-16.92,;31.49,-20.02,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(13-22(30)26-25(24)28-27-16)20-9-7-18(8-10-20)12-23(31)29-14-19(15-29)11-17-5-3-2-4-6-17/h2-6,13,18-20H,7-12,14-15H2,1H3,(H2,26,27,28,30)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539839 (CHEMBL4638030) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(20.46,-18.84,;20.93,-20.3,;20.02,-21.55,;20.93,-22.8,;22.41,-22.33,;23.74,-23.09,;25.07,-22.33,;26.41,-23.1,;25.07,-20.78,;23.74,-20,;23.75,-18.45,;22.42,-17.69,;22.43,-16.14,;23.77,-15.38,;23.77,-13.84,;22.44,-13.06,;21.11,-13.82,;22.45,-11.52,;23.7,-10.62,;23.23,-9.16,;21.69,-9.15,;21.21,-10.61,;20.81,-7.9,;19.91,-6.65,;25.09,-16.15,;25.09,-17.69,;22.41,-20.78,)| Show InChI InChI=1S/C20H25N5O2/c1-12-19-16(9-17(26)22-20(19)24-23-12)15-4-2-13(3-5-15)8-18(27)25-7-6-14(10-21)11-25/h9,13-15H,2-8,11H2,1H3,(H2,22,23,24,26)/t13-,14?,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539833 (CHEMBL4632766) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)OC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(27.12,-30.36,;27.6,-31.82,;26.69,-33.06,;27.6,-34.31,;29.07,-33.84,;30.4,-34.6,;31.73,-33.84,;33.06,-34.61,;31.73,-32.3,;30.4,-31.51,;30.41,-29.97,;29.08,-29.21,;29.09,-27.66,;30.42,-26.9,;31.75,-27.68,;31.75,-29.21,;30.43,-25.36,;29.11,-24.59,;27.77,-25.35,;29.11,-23.05,;29.88,-21.72,;28.34,-21.71,;26.8,-21.71,;27.57,-20.38,;29.07,-32.3,)| Show InChI InChI=1S/C17H19F2N3O3/c1-8-14-11(6-13(23)20-15(14)22-21-8)9-2-4-10(5-3-9)25-16(24)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H2,20,21,22,23)/t9-,10-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539843 (CHEMBL4647115) Show SMILES [H][C@]12C[C@@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539841 (CHEMBL4639606) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)c4ccccc4)CC3)c12 |r,wU:10.9,wD:13.13,(43.22,-17.37,;43.69,-18.84,;42.78,-20.08,;43.69,-21.34,;45.16,-20.86,;46.5,-21.62,;47.83,-20.86,;49.17,-21.63,;47.83,-19.31,;46.5,-18.53,;46.51,-16.98,;45.18,-16.22,;45.19,-14.67,;46.53,-13.9,;46.53,-12.36,;45.2,-11.59,;43.87,-12.35,;45.21,-10.05,;46.46,-9.15,;45.99,-7.68,;44.45,-7.68,;43.97,-9.14,;43.57,-6.43,;44.21,-5.04,;43.32,-3.79,;41.8,-3.93,;41.16,-5.34,;42.05,-6.58,;47.85,-14.68,;47.85,-16.22,;45.16,-19.31,)| Show InChI InChI=1S/C25H30N4O2/c1-16-24-21(14-22(30)26-25(24)28-27-16)19-9-7-17(8-10-19)13-23(31)29-12-11-20(15-29)18-5-3-2-4-6-18/h2-6,14,17,19-20H,7-13,15H2,1H3,(H2,26,27,28,30)/t17-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539842 (CHEMBL4636507) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)| Show InChI InChI=1S/C22H32N4O2/c1-14-20-17(13-18(27)23-21(20)25-24-14)16-6-4-15(5-7-16)12-19(28)26-10-8-22(2,3)9-11-26/h13,15-16H,4-12H2,1-3H3,(H2,23,24,25,27)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539815 (CHEMBL4640521) Show SMILES C[C@@H]1CCCC[C@@H]1c1cc(=O)[nH]c2n[nH]c(C)c12 |r| Show InChI InChI=1S/C14H19N3O/c1-8-5-3-4-6-10(8)11-7-12(18)15-14-13(11)9(2)16-17-14/h7-8,10H,3-6H2,1-2H3,(H2,15,16,17,18)/t8-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539831 (CHEMBL4639973) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(5.87,-30.13,;6.35,-31.59,;5.43,-32.83,;6.35,-34.08,;7.81,-33.61,;9.15,-34.37,;10.47,-33.61,;11.81,-34.38,;10.47,-32.07,;9.15,-31.28,;9.16,-29.74,;7.83,-28.98,;7.84,-27.44,;9.17,-26.67,;10.5,-27.45,;10.49,-28.98,;9.18,-25.13,;7.85,-24.36,;6.52,-25.12,;7.86,-22.82,;8.63,-21.49,;7.09,-21.48,;5.55,-21.48,;6.32,-20.15,;7.81,-32.07,)| Show InChI InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539833 (CHEMBL4632766) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)OC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(27.12,-30.36,;27.6,-31.82,;26.69,-33.06,;27.6,-34.31,;29.07,-33.84,;30.4,-34.6,;31.73,-33.84,;33.06,-34.61,;31.73,-32.3,;30.4,-31.51,;30.41,-29.97,;29.08,-29.21,;29.09,-27.66,;30.42,-26.9,;31.75,-27.68,;31.75,-29.21,;30.43,-25.36,;29.11,-24.59,;27.77,-25.35,;29.11,-23.05,;29.88,-21.72,;28.34,-21.71,;26.8,-21.71,;27.57,-20.38,;29.07,-32.3,)| Show InChI InChI=1S/C17H19F2N3O3/c1-8-14-11(6-13(23)20-15(14)22-21-8)9-2-4-10(5-3-9)25-16(24)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H2,20,21,22,23)/t9-,10-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539814 (CHEMBL4641076) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(CC3CCC3)c12 Show InChI InChI=1S/C12H15N3O/c1-7-11-9(5-8-3-2-4-8)6-10(16)13-12(11)15-14-7/h6,8H,2-5H2,1H3,(H2,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair

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