Compile Data Set for Download or QSAR

Found 11928 hits of ic50 data for polymerid = 4917,50001055   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM569236 (US11427563, Compound 103) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r| 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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM569281 (US11427563, Compound 170 | US11427563, Compound 32...) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r| 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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM569281 (US11427563, Compound 170 | US11427563, Compound 32...) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r| 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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113220 (US8633206, 139) Show SMILES COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)| Show InChI InChI=1S/C22H35N5O4S/c1-26(22-20-9-10-23-21(20)24-16-25-22)18-7-5-17(6-8-18)15-32(28,29)27-11-3-4-19(14-27)31-13-12-30-2/h9-10,16-19H,3-8,11-15H2,1-2H3,(H,23,24,25)/t17-,18-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00125	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00133	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00199	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490011 (US10966980, Example 265) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCn3cccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.52,;2.18,3.19,;.64,3.19,;-.45,4.27,;-1.54,3.19,;-3.08,3.19,;-3.85,1.85,;-2.51,1.08,;-5.18,2.62,;-4.62,.52,;-6.16,.52,;-6.93,-.82,;-6.16,-2.15,;-6.63,-3.61,;-5.39,-4.52,;-4.14,-3.61,;-4.62,-2.15,;-3.85,-.82,;-.45,2.1,;2.95,1.85,;2.18,.52,;2.95,-.82,;4.49,-.82,;5.26,.52,;6.77,.84,;6.93,2.37,;5.52,3,;4.49,1.85,)| 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	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490009 (US10966980, Example 263) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3ccccc3C(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4.1,;3.34,2.77,;1.8,2.77,;.71,3.86,;-.38,2.77,;-1.92,2.77,;-2.69,1.44,;-1.36,.67,;-4.03,2.21,;-3.46,.1,;-5,.1,;-5.77,-1.23,;-7.31,-1.23,;-8.08,-2.56,;-7.31,-3.9,;-5.77,-3.9,;-5,-2.56,;-3.46,-2.56,;-3.46,-4.1,;-2.13,-3.33,;-2.69,-1.23,;.71,1.68,;4.11,1.44,;3.34,.1,;4.11,-1.23,;5.65,-1.23,;6.42,.1,;7.92,.42,;8.08,1.95,;6.68,2.58,;5.65,1.44,)| 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	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489909 (US10966980, Example 163) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ccn(C)n2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-7.4,.68,;-6.07,-.09,;-4.98,1,;-4.98,2.54,;-3.44,2.54,;-2.35,3.62,;-.86,3.23,;-1.26,4.71,;.23,4.31,;.23,2.14,;-.17,.65,;.92,-.44,;2.4,-.04,;2.8,1.45,;1.71,2.54,;3.49,-1.13,;3.49,-2.67,;4.96,-3.15,;5.86,-1.9,;7.4,-1.9,;4.96,-.65,;-3.44,1,;-6.07,-1.63,;-7.4,-2.4,;-7.4,-3.94,;-6.07,-4.71,;-4.73,-3.94,;-3.27,-4.42,;-2.37,-3.17,;-3.27,-1.93,;-4.73,-2.4,)| 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	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489985 (US10966980, Example 239) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)C2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.99,1.48,;-4.66,.71,;-3.32,1.48,;-2.92,2.97,;-1.44,2.57,;-.1,3.34,;1.23,2.57,;2,3.91,;.46,1.24,;2.56,1.8,;2.96,.32,;4.45,.71,;5.99,.71,;5.22,-.62,;4.05,2.2,;-1.84,1.09,;-4.66,-.83,;-5.99,-1.6,;-5.99,-3.14,;-4.66,-3.91,;-3.32,-3.14,;-1.86,-3.61,;-.95,-2.37,;-1.86,-1.12,;-3.32,-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	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489983 (US10966980, Example 237) Show SMILES COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.72,6.4,;4.81,5.31,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;2.92,3.43,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)| 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	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489965 (US10966980, Example 219) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.4,.68,;-3.07,-.09,;-1.98,1,;-1.98,2.54,;-.44,2.54,;.65,3.62,;2.14,3.23,;3.22,4.31,;1.74,4.71,;3.47,2.46,;3.07,.97,;4.4,1.74,;1.74,.2,;2.51,-1.14,;3.84,-.37,;-.44,1,;-3.07,-1.63,;-4.4,-2.4,;-4.4,-3.94,;-3.07,-4.71,;-1.74,-3.94,;-.27,-4.42,;.63,-3.17,;-.27,-1.93,;-1.74,-2.4,)| 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	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489982 (US10966980, Example 236) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cn(C)c(=O)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;3.61,1.91,;4.38,3.24,;5.92,3.24,;3.61,4.57,;4.38,5.91,;2.07,4.57,;1.3,3.24,;-.24,3.24,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)| 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	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489960 (US10966980, Example 214) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ncco2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.46,.68,;-5.12,-.09,;-4.03,1,;-4.03,2.54,;-2.49,2.54,;-1.4,3.62,;.08,3.23,;1.17,4.31,;-.31,4.71,;1.17,2.14,;.77,.65,;1.86,-.44,;3.35,-.04,;3.75,1.45,;2.66,2.54,;4.44,-1.13,;5.98,-1.13,;6.46,-2.59,;5.21,-3.5,;3.96,-2.59,;-2.49,1,;-5.12,-1.63,;-6.46,-2.4,;-6.46,-3.94,;-5.12,-4.71,;-3.79,-3.94,;-2.32,-4.42,;-1.42,-3.17,;-2.32,-1.93,;-3.79,-2.4,)| 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	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489998 (US10966980, Example 252) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(Cl)cc2F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,-.07,;-4.91,-.84,;-3.82,.25,;-3.82,1.79,;-2.28,1.79,;-1.19,2.88,;.29,2.48,;.69,3.97,;-.1,.99,;1.78,2.88,;2.87,1.79,;4.36,2.19,;4.76,3.68,;6.24,4.08,;3.67,4.77,;2.18,4.37,;1.09,5.46,;-2.28,.25,;-4.91,-2.38,;-6.24,-3.15,;-6.24,-4.69,;-4.91,-5.46,;-3.58,-4.69,;-2.11,-5.16,;-1.21,-3.92,;-2.11,-2.67,;-3.58,-3.15,)| 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	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489940 (US10966980, Example 194) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489922 (US10966980, Example 176) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccnc(C)c2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;2.28,4.01,;3.61,3.24,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;4.94,-2.15,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489916 (US10966980, Example 170) Show SMILES COc1cc(C)c(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(2.36,-4.26,;1.27,-3.17,;1.67,-1.69,;.58,-.6,;.98,.89,;.58,2.38,;2.47,1.29,;3.56,.2,;3.16,-1.29,;2.87,2.78,;3.27,4.26,;4.35,3.17,;1.53,3.55,;.2,2.78,;-1.29,3.17,;-1.69,1.69,;-.2,1.29,;-3.02,.92,;-4.35,1.69,;-3.02,-.62,;-4.35,-1.39,;-4.35,-2.93,;-3.02,-3.7,;-1.69,-2.93,;-.22,-3.41,;.68,-2.16,;-.22,-.92,;-1.69,-1.39,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490010 (US10966980, Example 264) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCc3ccccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4,;3.34,2.67,;1.8,2.67,;.71,3.76,;-.38,2.67,;-1.92,2.67,;-2.69,1.33,;-1.36,.56,;-4.03,2.1,;-3.46,,;-2.69,-1.33,;-3.46,-2.67,;-5,-2.67,;-5.77,-4,;-7.31,-4,;-8.08,-2.67,;-7.31,-1.33,;-5.77,-1.33,;-5,,;.71,1.58,;4.11,1.33,;3.34,,;4.11,-1.33,;5.65,-1.33,;6.42,,;7.92,.32,;8.08,1.85,;6.68,2.48,;5.65,1.33,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490008 (US10966980, Example 262) Show SMILES COc1ccc2CN(Cc2c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.21,15.16,(-8.03,-5.14,;-8.03,-3.6,;-6.7,-2.83,;-5.36,-3.6,;-4.03,-2.83,;-4.03,-1.29,;-2.89,-.26,;-3.51,1.14,;-5.04,.98,;-5.36,-.52,;-6.7,-1.29,;-2.74,2.48,;-1.41,1.71,;-4.08,3.25,;-1.97,3.81,;-.43,3.81,;.66,4.9,;1.74,3.81,;.66,2.72,;3.28,3.81,;4.05,5.14,;4.05,2.48,;3.28,1.14,;4.05,-.19,;5.59,-.19,;6.36,1.14,;7.87,1.46,;8.03,2.99,;6.63,3.62,;5.59,2.48,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490006 (US10966980, Example 260) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC(C2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.68,;2.18,3.35,;.64,3.35,;-.44,4.44,;-1.53,3.35,;-3.07,3.35,;-3.84,2.02,;-2.51,1.25,;-5.18,2.79,;-4.61,.68,;-6.15,.68,;-6.93,-.67,;-6.15,-2.02,;-4.6,-2.02,;-3.82,-.67,;-3.83,-3.35,;-3.06,-4.68,;-2.49,-2.58,;-5.16,-4.12,;-.44,2.26,;2.95,2.02,;2.18,.68,;2.95,-.65,;4.49,-.65,;5.26,.68,;6.77,1,;6.93,2.53,;5.52,3.16,;4.49,2.02,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489986 (US10966980, Example 240) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(=O)n(C)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;1.3,3.24,;2.07,4.57,;3.61,4.57,;4.38,5.91,;4.38,3.24,;5.92,3.24,;3.61,1.91,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489977 (US10966980, Example 231) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| 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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489974 (US10966980, Example 228) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,1.48,;-4.59,.71,;-3.25,1.48,;-2.85,2.97,;-1.37,2.57,;-.03,3.34,;1.3,2.57,;2.07,3.91,;2.07,1.24,;2.84,2.57,;3.61,1.24,;5.15,1.24,;5.92,-.09,;5.92,2.57,;-1.77,1.09,;-4.59,-.83,;-5.92,-1.6,;-5.92,-3.14,;-4.59,-3.91,;-3.25,-3.14,;-1.79,-3.61,;-.88,-2.37,;-1.79,-1.12,;-3.25,-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	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113214 (US8633206, 133) Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H33N5O3S/c1-14-9-15(12-29(27,28)25-8-6-16(10-25)11-26)3-4-18(14)24(2)20-17-5-7-21-19(17)22-13-23-20/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(H,21,22,23)/t14-,15+,16+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00508	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489941 (US10966980, Example 195) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)C(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,-.16,;-5.61,-.93,;-4.28,-.16,;-3.88,1.33,;-2.39,.93,;-1.06,1.7,;.28,.93,;-.49,-.4,;1.05,-.4,;1.61,1.7,;2.94,.93,;4.28,1.7,;4.28,3.24,;2.94,4.01,;1.61,3.24,;5.61,4.01,;6.94,3.24,;5.61,5.55,;-2.79,-.56,;-5.61,-2.47,;-6.94,-3.24,;-6.94,-4.78,;-5.61,-5.55,;-4.28,-4.78,;-2.81,-5.26,;-1.91,-4.01,;-2.81,-2.76,;-4.28,-3.24,)| 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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489994 (US10966980, Example 248) Show SMILES CC[C@H](C)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:11.13,9.8,(3.9,-2.66,;2.81,-1.57,;3.21,-.08,;4.7,.32,;2.12,1.01,;2.52,2.5,;4.01,2.89,;2.92,3.98,;1.19,3.27,;-.15,2.5,;-1.63,2.89,;-2.03,1.41,;-.54,1.01,;-3.37,.64,;-4.7,1.41,;-3.37,-.9,;-4.7,-1.67,;-4.7,-3.21,;-3.37,-3.98,;-2.03,-3.21,;-.57,-3.69,;.34,-2.44,;-.57,-1.2,;-2.03,-1.67,)| 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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489987 (US10966980, Example 241) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)cc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,.28,;-4.91,-.49,;-3.82,.6,;-3.82,2.14,;-2.28,2.14,;-1.19,3.23,;.29,2.83,;.69,4.31,;-.1,1.34,;1.78,3.23,;2.18,4.71,;3.67,5.11,;4.76,4.02,;6.24,4.42,;4.36,2.54,;2.87,2.14,;-2.28,.6,;-4.91,-2.03,;-6.24,-2.8,;-6.24,-4.34,;-4.91,-5.11,;-3.58,-4.34,;-2.11,-4.82,;-1.21,-3.57,;-2.11,-2.33,;-3.58,-2.8,)| 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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489978 (US10966980, Example 232) Show SMILES CO[C@@H](C)C1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:16.19,14.14,(3.88,-4.98,;4.28,-3.49,;2.94,-2.72,;1.61,-3.49,;2.94,-1.18,;1.61,-.41,;1.61,1.13,;2.94,1.9,;4.28,1.13,;4.28,-.41,;2.94,3.44,;4.28,4.21,;2.94,4.98,;1.61,4.21,;.28,3.44,;-1.21,3.84,;-1.61,2.35,;-.12,1.95,;-2.94,1.58,;-4.28,2.35,;-2.94,.04,;-4.28,-.73,;-4.28,-2.27,;-2.94,-3.04,;-1.61,-2.27,;-.15,-2.75,;.76,-1.5,;-.15,-.25,;-1.61,-.73,)| 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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490005 (US10966980, Example 259) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3cnn(C)c3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(3.44,4.61,;2.67,3.27,;1.13,3.27,;.04,4.36,;-1.05,3.27,;-2.59,3.27,;-3.36,1.94,;-2.03,1.17,;-4.7,2.71,;-4.13,.6,;-5.67,.6,;-6.15,-.88,;-7.41,-1.79,;-6.93,-3.27,;-5.38,-3.27,;-4.61,-4.61,;-4.89,-1.79,;-3.63,-.88,;.04,2.18,;3.44,1.94,;2.67,.6,;3.44,-.73,;4.98,-.73,;5.75,.6,;7.25,.92,;7.41,2.46,;6.01,3.08,;4.98,1.94,)| 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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489968 (US10966980, Example 222) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc(C)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,-3.69,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| 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	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489906 (US10966980, Example 160) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.85,1.61,;-3.51,.84,;-2.18,1.61,;-1.78,3.09,;-.29,2.69,;1.04,3.47,;2.38,2.69,;3.46,3.78,;1.29,1.61,;3.46,1.61,;3.07,.12,;4.15,-.97,;3.76,-2.46,;4.85,-3.55,;2.27,-2.86,;-.69,1.21,;-3.51,-.7,;-4.85,-1.47,;-4.85,-3.01,;-3.51,-3.78,;-2.18,-3.01,;-.71,-3.49,;.19,-2.24,;-.71,-1,;-2.18,-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	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489934 (US10966980, Example 188) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)OC(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-4.56,.73,;-3.22,-.04,;-2.14,1.05,;-2.14,2.59,;-.6,2.59,;.49,3.68,;1.98,3.28,;3.07,4.37,;1.58,4.77,;2.38,1.79,;3.84,1.31,;3.84,-.23,;2.38,-.7,;1.47,.54,;1.98,-2.19,;3.07,-3.28,;4.56,-2.88,;2.67,-4.77,;-.6,1.05,;-3.22,-1.58,;-4.56,-2.35,;-4.56,-3.89,;-3.22,-4.66,;-1.89,-3.89,;-.43,-4.37,;.48,-3.12,;-.43,-1.88,;-1.89,-2.35,)| 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	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113218 (US8633206, 137) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00777	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490000 (US10966980, Example 254) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CF)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.61,;-2.94,.84,;-1.61,1.61,;-1.21,3.09,;.28,2.69,;1.61,3.47,;2.94,2.69,;4.28,3.47,;2.94,4.23,;2.94,1.15,;1.61,.38,;1.61,-1.15,;2.94,-1.93,;2.94,-3.46,;4.28,-4.23,;4.28,-1.15,;4.28,.38,;-.12,1.21,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489969 (US10966980, Example 223) Show SMILES COc1ccc(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(6.44,5.51,;6.05,4.02,;4.56,3.62,;3.47,4.71,;1.98,4.31,;1.58,2.83,;2.67,1.74,;4.16,2.14,;.1,2.43,;.49,3.92,;-.3,.94,;-1.39,2.83,;-2.48,1.74,;-4.02,1.74,;-4.02,.2,;-2.48,.2,;-5.11,-.89,;-6.44,-.12,;-5.11,-2.43,;-6.44,-3.2,;-6.44,-4.74,;-5.11,-5.51,;-3.78,-4.74,;-2.31,-5.22,;-1.41,-3.97,;-2.31,-2.72,;-3.78,-3.2,)| 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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489970 (US10966980, Example 224) Show SMILES COc1cc(cnc1C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,-3.69,;2.28,2.47,;3.61,3.24,;2.28,4.01,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| 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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489971 (US10966980, Example 225) Show SMILES CCOc1ncccc1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(3.72,6.4,;2.23,6,;1.84,4.51,;2.92,3.43,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)| 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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489901 (US10966980, Example 155) Show SMILES COc1cc(ccn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,2.47,;2.28,4.01,;3.61,3.24,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| 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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489920 (US10966980, Example 174) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCCCF)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.39,.19,;-5.06,-.58,;-3.97,.5,;-3.97,2.04,;-2.43,2.04,;-1.34,3.13,;.15,2.73,;-.25,1.25,;1.48,1.96,;1.24,3.82,;2.73,3.43,;3.81,4.51,;5.3,4.12,;6.39,5.2,;-2.43,.5,;-5.06,-2.12,;-6.39,-2.89,;-6.39,-4.43,;-5.06,-5.2,;-3.72,-4.43,;-2.26,-4.91,;-1.35,-3.66,;-2.26,-2.42,;-3.72,-2.89,)| 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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489938 (US10966980, Example 192) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc3cnn(C)c23)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.72,.28,;-4.39,-.49,;-3.3,.6,;-3.3,2.14,;-1.76,2.14,;-.67,3.23,;.82,2.83,;1.22,4.31,;.42,1.34,;2.31,3.23,;2.7,4.71,;4.19,5.11,;5.28,4.02,;4.88,2.54,;5.72,1.24,;4.75,.05,;3.31,.6,;1.98,-.17,;3.39,2.14,;-1.76,.6,;-4.39,-2.03,;-5.72,-2.8,;-5.72,-4.34,;-4.39,-5.11,;-3.05,-4.34,;-1.59,-4.82,;-.68,-3.57,;-1.59,-2.33,;-3.05,-2.8,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489963 (US10966980, Example 217) Show SMILES COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.85,-4.06,;4.25,-2.58,;3.16,-1.49,;1.67,-1.89,;.58,-.8,;.98,.69,;2.47,1.09,;3.56,,;2.87,2.58,;4.35,2.98,;3.27,4.06,;1.53,3.35,;.2,2.58,;-1.29,2.98,;-1.69,1.49,;-.2,1.09,;-3.02,.72,;-4.35,1.49,;-3.02,-.82,;-4.35,-1.59,;-4.35,-3.13,;-3.02,-3.9,;-1.69,-3.13,;-.22,-3.61,;.68,-2.36,;-.22,-1.12,;-1.69,-1.59,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490003 (US10966980, Example 257) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3cn(C)nc3C(C)(C)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.45,4.1,;3.68,2.77,;2.14,2.77,;1.05,3.86,;-.04,2.77,;-1.58,2.77,;-2.35,1.44,;-1.01,.67,;-3.68,2.21,;-3.12,.1,;-4.66,.1,;-5.43,-1.23,;-6.93,-1.55,;-7.09,-3.08,;-8.43,-3.85,;-5.69,-3.71,;-4.66,-2.56,;-3.12,-2.56,;-3.12,-4.1,;-1.78,-3.33,;-2.35,-1.23,;1.05,1.68,;4.45,1.44,;3.68,.1,;4.45,-1.23,;5.99,-1.23,;6.76,.1,;8.27,.42,;8.43,1.95,;7.02,2.58,;5.99,1.44,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489945 (US10966980, Example 199) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCS(=O)(=O)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,.23,;-4.59,-.54,;-3.25,.23,;-2.85,1.71,;-1.37,1.31,;-.03,2.08,;-.03,3.62,;-.03,5.16,;-1.57,3.62,;1.51,3.62,;2.28,4.96,;3.82,4.96,;4.59,3.62,;5.92,4.39,;5.92,2.85,;3.82,2.29,;2.28,2.29,;-1.77,-.17,;-4.59,-2.08,;-5.92,-2.85,;-5.92,-4.39,;-4.59,-5.16,;-3.25,-4.39,;-1.79,-4.87,;-.88,-3.62,;-1.79,-2.38,;-3.25,-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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489989 (US10966980, Example 243) Show SMILES COC[C@H]1CC[C@@H](CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:3.2,wD:15.18,13.13,6.9,(4.81,-4.74,;4.04,-3.41,;4.81,-2.08,;4.04,-.74,;2.5,-.74,;1.73,.59,;2.5,1.92,;4.04,1.92,;4.81,.59,;1.73,3.26,;1.33,4.74,;2.82,4.35,;.24,3.66,;-.85,2.57,;-2.39,2.57,;-2.39,1.03,;-.85,1.03,;-3.48,-.06,;-4.81,.71,;-3.48,-1.6,;-4.81,-2.37,;-4.81,-3.91,;-3.48,-4.68,;-2.14,-3.91,;-.68,-4.39,;.23,-3.14,;-.68,-1.9,;-2.14,-2.37,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489961 (US10966980, Example 215) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc3ccccc3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.79,.28,;-5.46,-.49,;-4.37,.6,;-4.37,2.14,;-2.83,2.14,;-1.74,3.23,;-.25,2.83,;.15,4.31,;-.65,1.34,;1.24,3.23,;1.64,4.71,;3.12,5.11,;4.21,4.02,;5.7,4.42,;6.79,3.33,;6.39,1.85,;4.9,1.45,;3.81,2.54,;2.33,2.14,;-2.83,.6,;-5.46,-2.03,;-6.79,-2.8,;-6.79,-4.34,;-5.46,-5.11,;-4.12,-4.34,;-2.66,-4.82,;-1.75,-3.57,;-2.66,-2.33,;-4.12,-2.8,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489966 (US10966980, Example 220) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(c2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.9,-1.21,;-4.57,-1.98,;-3.48,-.89,;-3.48,.65,;-1.94,.65,;-.85,1.74,;.64,1.34,;1.04,2.83,;.24,-.15,;2.13,1.74,;3.22,.65,;4.7,1.05,;5.1,2.54,;4.01,3.62,;2.53,3.23,;4.41,5.11,;4.81,6.6,;2.92,5.51,;5.9,4.71,;-1.94,-.89,;-4.57,-3.52,;-5.9,-4.29,;-5.9,-5.83,;-4.57,-6.6,;-3.23,-5.83,;-1.77,-6.31,;-.86,-5.06,;-1.77,-3.81,;-3.23,-4.29,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489962 (US10966980, Example 216) Show SMILES COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)| 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	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50243908 (CHEMBL4103586 | US10966980, Example 221) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(6.34,-12.52,;7.67,-13.29,;9,-12.51,;9.39,-11.02,;10.88,-11.41,;12.21,-10.64,;13.54,-11.4,;14.3,-12.73,;12.77,-12.72,;14.87,-10.63,;16.2,-11.41,;17.54,-10.64,;17.54,-9.1,;16.2,-8.33,;14.87,-9.1,;10.49,-12.9,;7.68,-14.82,;6.35,-15.59,;6.35,-17.14,;7.68,-17.91,;9.02,-17.13,;10.49,-17.6,;11.39,-16.34,;10.47,-15.1,;9.01,-15.59,)| Show InChI InChI=1S/C18H20N4O2S/c1-22(18-16-7-8-19-17(16)20-12-21-18)14-9-13(10-14)11-25(23,24)15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3,(H,19,20,21)/t13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
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 US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229018 (US9328099, 11-2) Show SMILES NC(=O)c1cn(nc1Nc1ccc(nc1)-c1cn[nH]c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F Show InChI InChI=1S/C22H22F3N9O3/c23-22(24,25)13-37-20(36)33-7-4-21(3-6-26,5-8-33)34-12-16(18(27)35)19(32-34)31-15-1-2-17(28-11-15)14-9-29-30-10-14/h1-2,9-12H,3-5,7-8,13H2,(H2,27,35)(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair

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