Compile Data Set for Download or QSAR

Found 168 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6923   

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))	BDBM159770 (US10966980, Example 21 | US9035074, 21) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(CC1)c1cc[nH]n1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-7.52,1.48,;-6.19,.71,;-4.86,1.48,;-4.46,2.97,;-2.97,2.57,;-3.37,1.09,;-1.64,3.34,;-.3,2.57,;-1.07,1.24,;.47,3.91,;1.03,1.8,;1.03,.26,;2.36,-.51,;3.7,.26,;3.7,1.8,;2.36,2.57,;5.03,-.51,;6.28,.4,;7.52,-.51,;7.05,-1.97,;5.51,-1.97,;-6.19,-.83,;-7.52,-1.6,;-7.52,-3.14,;-6.19,-3.91,;-4.86,-3.14,;-3.39,-3.61,;-2.49,-2.37,;-3.39,-1.12,;-4.86,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159756 (PF-02384554 | US10966980, Example 8 | US9035074, 8) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cc(ccn1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.61,;-4.28,.84,;-2.94,1.61,;-2.55,3.09,;-1.06,2.69,;-1.46,1.21,;.28,3.47,;1.61,2.69,;.52,1.61,;2.7,3.78,;2.94,1.93,;2.94,.38,;4.28,-.38,;5.61,.38,;5.61,1.93,;4.28,2.69,;4.28,-1.92,;4.28,-3.46,;-4.28,-.7,;-5.61,-1.47,;-5.61,-3.01,;-4.28,-3.78,;-2.94,-3.01,;-1.48,-3.49,;-.57,-2.24,;-1.48,-1,;-2.94,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159769 (US10966980, Example 20 | US9035074, 20) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC(C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.55,1.61,;-5.22,.84,;-3.89,1.61,;-3.49,3.09,;-2,2.69,;-2.4,1.21,;-.67,3.47,;.67,2.69,;-.42,1.61,;1.76,3.78,;2,1.93,;2.4,.44,;3.89,.84,;3.49,2.32,;5.22,.07,;6.55,-.7,;-5.22,-.7,;-6.55,-1.47,;-6.55,-3.01,;-5.22,-3.78,;-3.89,-3.01,;-2.42,-3.49,;-1.52,-2.24,;-2.42,-1,;-3.89,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159786 (US10966980, Example 36 | US9035074, 36) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.98,.23,;-4.65,-.54,;-3.32,.23,;-3.32,1.77,;-1.78,1.77,;-.69,2.85,;.65,2.08,;-.12,.75,;1.74,1,;1.98,2.85,;1.98,4.39,;3.32,5.16,;4.65,4.39,;5.98,5.16,;4.65,2.85,;5.98,2.08,;3.32,2.08,;-1.78,.23,;-4.65,-2.08,;-5.98,-2.85,;-5.98,-4.39,;-4.65,-5.16,;-3.32,-4.39,;-1.85,-4.87,;-.95,-3.62,;-1.85,-2.38,;-3.32,-2.85,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159788 (US10966980, Example 38 | US9035074, 38) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cnc(C)s1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.46,.09,;-4.13,-.68,;-2.79,.09,;-2.4,1.58,;-.91,1.18,;-1.31,-.31,;.43,1.95,;1.76,1.18,;.99,-.15,;2.53,-.15,;3.09,1.95,;4.56,1.47,;5.46,2.72,;4.56,3.97,;5.33,5.3,;3.09,3.49,;-4.13,-2.22,;-5.46,-2.99,;-5.46,-4.53,;-4.13,-5.3,;-2.79,-4.53,;-1.33,-5.01,;-.43,-3.76,;-1.33,-2.51,;-2.79,-2.99,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159777 (US10966980, Example 28 | US9035074, 28) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159782 (US10966980, Example 33 | US9035074, 33) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CC2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.34,1.38,;-5,.61,;-3.67,1.38,;-3.67,2.92,;-2.13,2.92,;-1.04,4.01,;.29,3.24,;-.48,1.91,;1.38,2.15,;1.63,4.01,;2.96,3.24,;3.36,1.75,;4.85,2.15,;6.34,2.55,;5.62,.82,;4.45,3.64,;-2.13,1.38,;-5,-.93,;-6.34,-1.7,;-6.34,-3.24,;-5,-4.01,;-3.67,-3.24,;-2.2,-3.72,;-1.3,-2.47,;-2.2,-1.22,;-3.67,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159765 (US10966980, Example 17A | US9035074, 17A) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC[C@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wU:13.16,wD:2.1,4.6,(-5.47,1.61,;-4.14,.84,;-2.8,1.61,;-2.4,3.09,;-.92,2.69,;-1.32,1.21,;.42,3.47,;1.75,2.69,;.66,1.61,;2.84,3.78,;3.08,1.93,;4.57,2.4,;5.47,1.15,;4.57,-.1,;3.1,.38,;4.96,-1.58,;5.36,-3.07,;-4.14,-.7,;-5.47,-1.47,;-5.47,-3.01,;-4.14,-3.78,;-2.8,-3.01,;-1.34,-3.49,;-.43,-2.24,;-1.34,-1,;-2.8,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159761 (US10966980, Example 13 | US9035074, 13) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.69,.29,;-4.36,-.48,;-3.03,.29,;-2.63,1.78,;-1.14,1.38,;-1.54,-.11,;.19,2.15,;1.53,1.38,;.44,.29,;2.61,.29,;2.61,2.47,;4.15,2.47,;4.15,4.01,;5.69,4.01,;5.24,5.1,;2.61,4.01,;-4.36,-2.02,;-5.69,-2.79,;-5.69,-4.33,;-4.36,-5.1,;-3.03,-4.33,;-1.56,-4.8,;-.66,-3.56,;-1.56,-2.31,;-3.03,-2.79,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159787 (US10966980, Example 37 | US9035074, 37) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cc(ccn2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,.61,;-5.61,-.16,;-4.28,.61,;-3.88,2.1,;-2.39,1.7,;-1.06,2.47,;.28,1.7,;-.49,.37,;1.05,.37,;1.61,2.47,;2.94,1.7,;4.28,2.47,;4.28,4.01,;2.94,4.78,;1.61,4.01,;5.61,1.7,;6.94,.93,;-2.79,.21,;-5.61,-1.7,;-6.94,-2.47,;-6.94,-4.01,;-5.61,-4.78,;-4.28,-4.01,;-2.81,-4.49,;-1.91,-3.24,;-2.81,-1.99,;-4.28,-2.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159752 (US10966980, Example 5 | US9035074, 5) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1(CC#N)COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.26,.84,;-4.93,.07,;-3.59,.84,;-3.59,2.38,;-2.05,2.38,;-2.05,.84,;-.96,3.47,;.52,3.07,;.92,4.55,;.13,1.58,;2.01,2.67,;2.41,1.18,;3.18,2.51,;4.72,2.51,;6.26,2.51,;1.32,.09,;2.41,-1,;3.5,.09,;-4.93,-1.47,;-6.26,-2.24,;-6.26,-3.78,;-4.93,-4.55,;-3.59,-3.78,;-2.13,-4.26,;-1.22,-3.01,;-2.13,-1.77,;-3.59,-2.24,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159760 (US10966980, Example 12 | US9035074, 12) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.73,.84,;-4.4,.07,;-3.06,.84,;-3.06,2.38,;-1.52,2.38,;-1.52,.84,;-.44,3.47,;1.05,3.07,;1.45,4.55,;.65,1.58,;2.54,2.67,;3.31,1.33,;2.91,-.15,;4.4,-.55,;5.73,-1.32,;3.63,-1.89,;4.8,.94,;-4.4,-1.47,;-5.73,-2.24,;-5.73,-3.78,;-4.4,-4.55,;-3.06,-3.78,;-1.6,-4.26,;-.69,-3.01,;-1.6,-1.77,;-3.06,-2.24,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159750 (US10966980, Example 4B | US9035074, 4B) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@H](CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:10.10,wD:2.1,4.6,12.13,(-5.36,3.28,;-4.28,2.19,;-2.79,2.59,;-2.02,3.92,;-.68,3.15,;-1.45,1.82,;.8,3.55,;1.89,2.46,;3.38,2.86,;1.49,.97,;2.98,1.37,;4.52,1.37,;4.52,-.17,;5.61,-1.26,;4.84,-2.59,;4.07,-3.92,;2.98,-.17,;-4.28,.65,;-5.61,-.12,;-5.61,-1.66,;-4.28,-2.43,;-2.94,-1.66,;-1.48,-2.14,;-.57,-.89,;-1.48,.36,;-2.94,-.12,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159763 (US10966980, Example 15 | US9035074, 15) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CN(C1)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.66,1.77,;-5.32,1,;-3.99,1.77,;-3.59,3.25,;-2.1,2.85,;-2.5,1.37,;-.77,3.62,;.56,2.85,;.56,1.31,;1.9,3.62,;1.9,2.08,;2.3,.6,;3.78,1,;3.38,2.48,;5.12,.23,;5.89,-1.11,;6.66,.23,;-5.32,-.54,;-6.66,-1.31,;-6.66,-2.85,;-5.32,-3.62,;-3.99,-2.85,;-2.53,-3.33,;-1.62,-2.08,;-2.53,-.84,;-3.99,-1.31,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159772 (US10966980, Example 23 | US9035074, 23) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@H]2C[C@]2(C1)C#N)c1ncnc2[nH]ccc12 |r,wU:14.18,wD:2.1,4.6,12.13,(-6.58,1.61,;-5.25,.84,;-3.92,1.61,;-3.52,3.09,;-2.03,2.69,;-2.43,1.21,;-.7,3.47,;.64,2.69,;-.45,1.61,;1.72,3.78,;1.97,1.93,;2.13,.39,;3.64,.07,;5.18,.07,;4.41,1.41,;3.38,2.55,;5.5,2.5,;6.58,3.58,;-5.25,-.7,;-6.58,-1.47,;-6.58,-3.01,;-5.25,-3.78,;-3.92,-3.01,;-2.45,-3.49,;-1.55,-2.24,;-2.45,-1,;-3.92,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159783 (US10966980, Example 34B | US9035074, 34B) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)[C@H]2CC[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,9.8,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159779 (US10966980, Example 30 | US9035074, 30) Show SMILES CCCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.98,3.24,;4.65,4.01,;3.32,3.24,;1.98,4.01,;.65,3.24,;-.12,1.91,;1.74,2.15,;-.69,4.01,;-1.78,2.92,;-3.32,2.92,;-3.32,1.38,;-1.78,1.38,;-4.65,.61,;-5.98,1.38,;-4.65,-.93,;-5.98,-1.7,;-5.98,-3.24,;-4.65,-4.01,;-3.32,-3.24,;-1.85,-3.72,;-.95,-2.47,;-1.85,-1.22,;-3.32,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159775 (US10966980, Example 25 | US9035074, 25) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(F)(F)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.79,-.25,;-4.45,-1.02,;-3.12,-.25,;-2.72,1.23,;-1.23,.84,;.1,1.61,;1.43,.84,;.34,-.25,;2.52,-.25,;2.52,1.93,;4.01,1.53,;5.1,2.62,;4.7,4.1,;5.79,5.19,;4.7,5.64,;3.21,4.5,;2.12,3.41,;-1.63,-.65,;-4.45,-2.56,;-5.79,-3.33,;-5.79,-4.87,;-4.45,-5.64,;-3.12,-4.87,;-1.66,-5.35,;-.75,-4.1,;-1.66,-2.86,;-3.12,-3.33,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159766 (US10966980, Example 17B | US9035074, 17B) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC[C@@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,13.16,(-5.79,1.48,;-4.45,.71,;-3.12,1.48,;-2.72,2.97,;-1.23,2.57,;-1.63,1.09,;.1,3.34,;1.43,2.57,;.66,1.24,;2.2,3.91,;2.77,1.8,;4.25,2.27,;5.15,1.03,;4.25,-.22,;2.78,.26,;5.02,-1.55,;5.79,-2.89,;-4.45,-.83,;-5.79,-1.6,;-5.79,-3.14,;-4.45,-3.91,;-3.12,-3.14,;-1.66,-3.61,;-.75,-2.37,;-1.66,-1.12,;-3.12,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159749 (US10966980, Example 3 | US9035074, 3) Show SMILES CC(C)CS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.44,2.67,;3.95,2.27,;3.55,.79,;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	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159781 (US10966980, Example 32 | US9035074, 32) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCC2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.82,.84,;-4.49,.07,;-3.16,.84,;-3.16,2.38,;-1.62,2.38,;-.53,3.47,;.96,3.07,;1.36,4.55,;.56,1.58,;2.45,2.67,;2.85,1.18,;4.33,.78,;5.42,-.31,;5.82,1.18,;-1.62,.84,;-4.49,-1.47,;-5.82,-2.24,;-5.82,-3.78,;-4.49,-4.55,;-3.16,-3.78,;-1.69,-4.26,;-.79,-3.01,;-1.69,-1.77,;-3.16,-2.24,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159755 (US10966980, Example 7B | US9035074, 7B) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@](C)(CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.6,10.10,12.13,(-5.49,3.28,;-4.4,2.19,;-2.91,2.59,;-2.14,3.92,;-.81,3.15,;-1.58,1.82,;.68,3.55,;1.77,2.46,;3.26,2.86,;1.37,.97,;2.86,1.37,;2.86,-.17,;4.4,-.17,;5.73,.6,;5.49,-1.26,;4.72,-2.59,;3.95,-3.92,;4.4,1.37,;-4.4,.65,;-5.73,-.12,;-5.73,-1.66,;-4.4,-2.43,;-3.06,-1.66,;-1.6,-2.14,;-.69,-.89,;-1.6,.36,;-3.06,-.12,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159778 (US10966980, Example 29 | US9035074, 29) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159773 (US10966980, Example 27 | US9035074, 27) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@@]2(C1)C#N)c1ncnc2[nH]ccc12 |r,wU:12.13,wD:2.1,4.6,14.18,(-6.58,1.48,;-5.25,.71,;-3.92,1.48,;-3.52,2.97,;-2.03,2.57,;-2.43,1.09,;-.7,3.34,;.64,2.57,;-.13,1.24,;1.41,3.91,;1.97,1.8,;2.13,.27,;3.64,-.05,;5.18,-.05,;4.41,1.28,;3.38,2.43,;5.5,2.37,;6.58,3.46,;-5.25,-.83,;-6.58,-1.6,;-6.58,-3.14,;-5.25,-3.91,;-3.92,-3.14,;-2.45,-3.61,;-1.55,-2.37,;-2.45,-1.12,;-3.92,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159751 (US10966980, Example 4A | US9035074, 4A) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@@H]1C[C@H](CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:10.10,12.13,wD:2.1,4.6,(-5.89,1.48,;-4.55,.71,;-3.22,1.48,;-2.82,2.97,;-1.33,2.57,;-1.73,1.09,;,3.34,;1.33,2.57,;.56,1.24,;2.1,3.91,;2.67,1.8,;3.07,.32,;4.55,.71,;5.89,-.06,;5.89,-1.6,;5.89,-3.14,;4.15,2.2,;-4.55,-.83,;-5.89,-1.6,;-5.89,-3.14,;-4.55,-3.91,;-3.22,-3.14,;-1.76,-3.61,;-.85,-2.37,;-1.76,-1.12,;-3.22,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159753 (US10966980, Example 6 | US9035074, 6) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.89,1.77,;-4.55,1,;-3.22,1.77,;-2.82,3.25,;-1.33,2.85,;-1.73,1.37,;,3.62,;1.33,2.85,;.24,1.77,;2.42,1.77,;2.67,3.62,;4,2.85,;4.4,1.37,;5.89,1.77,;5.49,3.25,;-4.55,-.54,;-5.89,-1.31,;-5.89,-2.85,;-4.55,-3.62,;-3.22,-2.85,;-1.76,-3.33,;-.85,-2.08,;-1.76,-.84,;-3.22,-1.31,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159759 (US9035074, 11) Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					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 US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159754 (US10966980, Example 7A | US9035074, 7A) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@@](C)(CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.13,wD:2.1,4.6,10.10,12.14,(-5.89,1.48,;-4.55,.71,;-3.22,1.48,;-2.82,2.97,;-1.33,2.57,;-1.73,1.09,;,3.34,;1.33,2.57,;.56,1.24,;2.1,3.91,;2.67,1.8,;3.07,.32,;4.55,.71,;5.89,1.48,;5.89,-.06,;5.89,-1.6,;5.89,-3.14,;4.15,2.2,;-4.55,-.83,;-5.89,-1.6,;-5.89,-3.14,;-4.55,-3.91,;-3.22,-3.14,;-1.76,-3.61,;-.85,-2.37,;-1.76,-1.12,;-3.22,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159768 (US10966980, Example 19 | US9035074, 19) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@H](C1)O2)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,12.18,14.17,(-5.92,1.22,;-4.58,.45,;-3.25,1.22,;-2.85,2.71,;-1.37,2.31,;-1.76,.82,;-.03,3.08,;1.46,2.68,;1.85,4.17,;.69,1.35,;2.94,2.28,;3.34,.8,;4.83,.4,;4.43,1.88,;5.52,2.97,;4.03,3.37,;5.92,1.49,;-4.58,-1.09,;-5.92,-1.86,;-5.92,-3.4,;-4.58,-4.17,;-3.25,-3.4,;-1.79,-3.87,;-.88,-2.63,;-1.79,-1.38,;-3.25,-1.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159784 (US10966980, Example 135 | US9035074, 34A) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)[C@@H]2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:9.8,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159762 (US10966980, Example 14 | US9035074, 14) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.71,1.77,;-4.38,1,;-3.05,1.77,;-2.65,3.25,;-1.16,2.85,;-1.56,1.37,;.17,3.62,;1.51,2.85,;.74,1.52,;2.6,1.77,;2.84,3.62,;4.17,2.85,;4.94,1.52,;5.71,2.85,;-4.38,-.54,;-5.71,-1.31,;-5.71,-2.85,;-4.38,-3.62,;-3.05,-2.85,;-1.58,-3.33,;-.68,-2.08,;-1.58,-.84,;-3.05,-1.31,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159767 (US10966980, Example 18 | US9035074, 18) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1Cc2cn(C)nc2C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.86,-.01,;-5.53,-.78,;-4.19,-.01,;-3.8,1.48,;-2.31,1.08,;-2.71,-.41,;-.97,1.85,;.36,1.08,;-.73,-.01,;1.13,-.26,;1.69,1.85,;3.16,1.37,;4.06,2.62,;5.53,3.09,;5.53,4.63,;6.86,5.4,;4.06,5.11,;3.16,3.86,;1.69,3.39,;-5.53,-2.32,;-6.86,-3.09,;-6.86,-4.63,;-5.53,-5.4,;-4.19,-4.63,;-2.86,-5.4,;-1.53,-4.63,;-1.53,-3.09,;-4.19,-3.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159764 (US10966980, Example 16 | US9035074, 16) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)NCC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.38,1.1,;-5.05,.33,;-3.71,1.1,;-3.32,2.59,;-1.83,2.19,;-2.23,.7,;-.49,2.96,;.84,2.19,;.07,.85,;1.61,.85,;2.17,2.96,;3.51,2.19,;4.84,2.96,;6.38,2.96,;5.61,4.29,;-5.05,-1.21,;-6.38,-1.98,;-6.38,-3.52,;-5.05,-4.29,;-3.71,-3.52,;-2.25,-4,;-1.34,-2.75,;-2.25,-1.51,;-3.71,-1.98,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159770 (US10966980, Example 21 | US9035074, 21) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(CC1)c1cc[nH]n1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-7.52,1.48,;-6.19,.71,;-4.86,1.48,;-4.46,2.97,;-2.97,2.57,;-3.37,1.09,;-1.64,3.34,;-.3,2.57,;-1.07,1.24,;.47,3.91,;1.03,1.8,;1.03,.26,;2.36,-.51,;3.7,.26,;3.7,1.8,;2.36,2.57,;5.03,-.51,;6.28,.4,;7.52,-.51,;7.05,-1.97,;5.51,-1.97,;-6.19,-.83,;-7.52,-1.6,;-7.52,-3.14,;-6.19,-3.91,;-4.86,-3.14,;-3.39,-3.61,;-2.49,-2.37,;-3.39,-1.12,;-4.86,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159780 (US10966980, Example 31 | US9035074, 31) Show SMILES CCCS(=O)(=O)C[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;-.11,3.36,;1.37,4.5,;.97,1.48,;-.51,1.08,;-1.28,-.26,;-2.62,.51,;-1.85,1.85,;-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	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159786 (US10966980, Example 36 | US9035074, 36) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.98,.23,;-4.65,-.54,;-3.32,.23,;-3.32,1.77,;-1.78,1.77,;-.69,2.85,;.65,2.08,;-.12,.75,;1.74,1,;1.98,2.85,;1.98,4.39,;3.32,5.16,;4.65,4.39,;5.98,5.16,;4.65,2.85,;5.98,2.08,;3.32,2.08,;-1.78,.23,;-4.65,-2.08,;-5.98,-2.85,;-5.98,-4.39,;-4.65,-5.16,;-3.32,-4.39,;-1.85,-4.87,;-.95,-3.62,;-1.85,-2.38,;-3.32,-2.85,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159785 (US10966980, Example 35 | US9035074, 35) Show SMILES CC(C)N1CCC(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:8.8,wD:14.17,12.12,(6.62,4.68,;5.85,3.34,;6.62,2.01,;4.31,3.34,;3.4,4.59,;1.94,4.11,;1.94,2.57,;3.4,2.1,;.6,1.8,;-.49,.71,;1.94,1.03,;-.73,2.57,;-2.06,1.8,;-3.55,2.2,;-3.95,.71,;-2.46,.32,;-5.28,-.06,;-6.62,.71,;-5.28,-1.6,;-6.62,-2.37,;-6.62,-3.91,;-5.28,-4.68,;-3.95,-3.91,;-2.49,-4.38,;-1.58,-3.14,;-2.49,-1.89,;-3.95,-2.37,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	106	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159782 (US10966980, Example 33 | US9035074, 33) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CC2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.34,1.38,;-5,.61,;-3.67,1.38,;-3.67,2.92,;-2.13,2.92,;-1.04,4.01,;.29,3.24,;-.48,1.91,;1.38,2.15,;1.63,4.01,;2.96,3.24,;3.36,1.75,;4.85,2.15,;6.34,2.55,;5.62,.82,;4.45,3.64,;-2.13,1.38,;-5,-.93,;-6.34,-1.7,;-6.34,-3.24,;-5,-4.01,;-3.67,-3.24,;-2.2,-3.72,;-1.3,-2.47,;-2.2,-1.22,;-3.67,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	161	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159769 (US10966980, Example 20 | US9035074, 20) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC(C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.55,1.61,;-5.22,.84,;-3.89,1.61,;-3.49,3.09,;-2,2.69,;-2.4,1.21,;-.67,3.47,;.67,2.69,;-.42,1.61,;1.76,3.78,;2,1.93,;2.4,.44,;3.89,.84,;3.49,2.32,;5.22,.07,;6.55,-.7,;-5.22,-.7,;-6.55,-1.47,;-6.55,-3.01,;-5.22,-3.78,;-3.89,-3.01,;-2.42,-3.49,;-1.52,-2.24,;-2.42,-1,;-3.89,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	171	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159761 (US10966980, Example 13 | US9035074, 13) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.69,.29,;-4.36,-.48,;-3.03,.29,;-2.63,1.78,;-1.14,1.38,;-1.54,-.11,;.19,2.15,;1.53,1.38,;.44,.29,;2.61,.29,;2.61,2.47,;4.15,2.47,;4.15,4.01,;5.69,4.01,;5.24,5.1,;2.61,4.01,;-4.36,-2.02,;-5.69,-2.79,;-5.69,-4.33,;-4.36,-5.1,;-3.03,-4.33,;-1.56,-4.8,;-.66,-3.56,;-1.56,-2.31,;-3.03,-2.79,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	177	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159777 (US10966980, Example 28 | US9035074, 28) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	179	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159779 (US10966980, Example 30 | US9035074, 30) Show SMILES CCCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.98,3.24,;4.65,4.01,;3.32,3.24,;1.98,4.01,;.65,3.24,;-.12,1.91,;1.74,2.15,;-.69,4.01,;-1.78,2.92,;-3.32,2.92,;-3.32,1.38,;-1.78,1.38,;-4.65,.61,;-5.98,1.38,;-4.65,-.93,;-5.98,-1.7,;-5.98,-3.24,;-4.65,-4.01,;-3.32,-3.24,;-1.85,-3.72,;-.95,-2.47,;-1.85,-1.22,;-3.32,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159757 (US10966980, Example 9 | US9035074, 9) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cccc(c1)C(C)(C)O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.71,-.25,;-5.38,-1.02,;-4.04,-.25,;-4.04,1.29,;-2.5,1.29,;-2.5,-.25,;-1.42,2.38,;.07,1.98,;1.41,1.21,;-.33,.49,;1.16,3.07,;.76,4.55,;1.85,5.64,;3.34,5.24,;3.74,3.76,;2.65,2.67,;5.22,3.36,;6.31,4.45,;6.71,2.96,;5.62,1.87,;-5.38,-2.56,;-6.71,-3.33,;-6.71,-4.87,;-5.38,-5.64,;-4.04,-4.87,;-2.58,-5.35,;-1.67,-4.1,;-2.58,-2.86,;-4.04,-3.33,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	231	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159774 (US10966980, Example 24 | US9035074, 24) Show SMILES CN([C@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(C1)C#N)c1ncnc2[nH]ccc12 |r,w:13.16,wU:4.6,wD:2.1,(-5.78,-.58,;-4.45,-1.35,;-3.11,-.58,;-1.62,-.97,;-1.23,.51,;-2.71,.91,;.11,1.28,;1.44,.51,;.67,-.82,;2.21,-.82,;2.77,1.28,;4.24,.81,;5.14,2.05,;4.24,3.3,;2.77,2.82,;5.01,4.63,;5.78,5.97,;-4.45,-2.89,;-5.78,-3.66,;-5.78,-5.2,;-4.45,-5.97,;-3.11,-5.2,;-1.65,-5.67,;-.74,-4.43,;-1.65,-3.18,;-3.11,-3.66,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	241	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM159786 (US10966980, Example 36 | US9035074, 36) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.98,.23,;-4.65,-.54,;-3.32,.23,;-3.32,1.77,;-1.78,1.77,;-.69,2.85,;.65,2.08,;-.12,.75,;1.74,1,;1.98,2.85,;1.98,4.39,;3.32,5.16,;4.65,4.39,;5.98,5.16,;4.65,2.85,;5.98,2.08,;3.32,2.08,;-1.78,.23,;-4.65,-2.08,;-5.98,-2.85,;-5.98,-4.39,;-4.65,-5.16,;-3.32,-4.39,;-1.85,-4.87,;-.95,-3.62,;-1.85,-2.38,;-3.32,-2.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	242	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair

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