Compile Data Set for Download or QSAR

Found 4287 hits with Last Name = 'childers' and Initial = 'ml'   

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))	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229453 (US9328099, 40-85) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)(F)F Show InChI InChI=1S/C21H23F5N6O3S/c22-19(23)36(34,35)15-3-1-14(2-4-15)30-18-16(17(28)33)11-32(31-18)20(9-10-27)7-5-13(6-8-20)29-12-21(24,25)26/h1-4,11,13,19,29H,5-9,12H2,(H2,28,33)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391013 (4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM390961 ((2S,5S and 2R,5R)-methyl 5-(cyanomethyl)-5-(3-((4...) Show SMILES COC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391314 (Trans 2-(1-(3-((4- chlorophenyl)amino)-4-oxo- 4,5-...) Show SMILES COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.16,wD:6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;.59,2.69,;.2,1.2,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;2.77,.51,;3.17,2,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229484 (US9328099, 41-10) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1Cl |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)| Show InChI InChI=1S/C24H25ClFN7O/c25-20-4-2-1-3-16(20)14-30-17-5-8-24(9-6-17,10-11-27)33-15-19(22(28)34)23(32-33)31-18-7-12-29-21(26)13-18/h1-4,7,12-13,15,17,30H,5-6,8-10,14H2,(H2,28,34)(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229016 (US9328099, 11-1) Show SMILES Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1 Show InChI InChI=1S/C23H24F3N9O3/c1-33-12-15(10-30-33)18-3-2-16(11-29-18)31-20-17(19(28)36)13-35(32-20)22(4-7-27)5-8-34(9-6-22)21(37)38-14-23(24,25)26/h2-3,10-13H,4-6,8-9,14H2,1H3,(H2,28,36)(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	0.0300	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229418 (US9328099, 40-33) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(F)cc1F |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-2.21,1.36,;-3.54,.59,;-4.87,1.36,;-6.21,.59,;-4.87,2.9,;-3.54,3.67,;-3.54,5.21,)| Show InChI InChI=1S/C23H22F3N7O/c24-14-1-2-19(18(25)11-14)30-15-3-6-23(7-4-15,8-9-27)33-13-17(21(28)34)22(32-33)31-16-5-10-29-20(26)12-16/h1-2,5,10-13,15,30H,3-4,6-8H2,(H2,28,34)(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM228240 (US9328099, 40-63) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(F)cc1F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.49,-5.07,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-6.87,.59,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)| Show InChI InChI=1S/C23H22F3N7O/c24-14-1-2-19(18(25)11-14)30-15-3-6-23(7-4-15,8-9-27)33-13-17(21(28)34)22(32-33)31-16-5-10-29-20(26)12-16/h1-2,5,10-13,15,30H,3-4,6-8H2,(H2,28,34)(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229507 (US9328099, 46) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@]1(CC#N)CCN(C[C@@H]1F)C(=O)OCC(F)F |r| Show InChI InChI=1S/C19H19F4N7O3/c20-13-9-29(18(32)33-10-14(21)22)6-3-19(13,2-4-24)30-8-12(16(25)31)17(28-30)27-11-1-5-26-15(23)7-11/h1,5,7-8,13-14H,2-3,6,9-10H2,(H2,25,31)(H,26,27,28)/t13-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391107 (US9957264, Example 5-178 | [(3S)-3-{3-[(2-tert-but...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2S1(=O)=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229159 (US9328099, 22-70) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(O)c2)CC1 Show InChI InChI=1S/C23H24FN7O2/c24-20-13-17(4-9-27-20)28-22-19(21(26)33)15-31(29-22)23(5-8-25)6-10-30(11-7-23)14-16-2-1-3-18(32)12-16/h1-4,9,12-13,15,32H,5-7,10-11,14H2,(H2,26,33)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391016 (US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...) Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391023 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4-(N- m...) Show SMILES CNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391338 (Trans 2-(4-(3-Fluoroazetidin- 1-yl)-1-(3-((2-methy...) Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:17.18,wD:23.28,(1.9,-7.72,;.57,-6.95,;.57,-5.41,;-.89,-4.93,;-1.52,-3.52,;-3.05,-3.36,;-3.45,-1.88,;-2.36,-.79,;-.83,-.95,;-.2,.46,;-1.35,1.49,;-1.35,3.03,;-2.68,3.8,;-4.01,3.03,;-4.01,1.49,;-5.35,.72,;-2.68,.72,;1.28,.86,;.02,-.03,;.16,-1.56,;.29,-3.09,;.2,1.95,;.59,3.43,;2.08,3.83,;3.17,2.74,;2.77,1.26,;2.48,5.32,;3.81,6.09,;3.04,7.42,;3.44,8.91,;1.71,6.65,;-3.96,-4.61,;-3.33,-6.02,;-1.8,-6.18,;-.89,-7.42,;-1.98,-8.51,;-.49,-8.91,)| 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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391348 ((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...) Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391366 (US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...) Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391366 (US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...) Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391295 (6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1 Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391295 (6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1 Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391185 (2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1,1-dio...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391188 (2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391194 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391195 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229460 (US9328099, 40-92) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCc1ccccc1 Show InChI InChI=1S/C25H27FN6O/c26-19-6-8-21(9-7-19)30-24-22(23(28)33)17-32(31-24)25(14-15-27)12-10-20(11-13-25)29-16-18-4-2-1-3-5-18/h1-9,17,20,29H,10-14,16H2,(H2,28,33)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229406 (US9328099, 40-17) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccccc1F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)| Show InChI InChI=1S/C23H23F2N7O/c24-18-3-1-2-4-19(18)29-15-5-8-23(9-6-15,10-11-26)32-14-17(21(27)33)22(31-32)30-16-7-12-28-20(25)13-16/h1-4,7,12-15,29H,5-6,8-10H2,(H2,27,33)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229452 (US9328099, 40-84) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)F Show InChI InChI=1S/C21H24F4N6O3S/c22-17(23)11-28-13-5-7-21(8-6-13,9-10-26)31-12-16(18(27)32)19(30-31)29-14-1-3-15(4-2-14)35(33,34)20(24)25/h1-4,12-13,17,20,28H,5-9,11H2,(H2,27,32)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391050 (2-(1-(3-((2-(tert-butyl)- 1,1-dioxido-2,3- dihydro...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2S1(=O)=O Show InChI InChI=1S/C24H28N6O3S/c1-23(2,3)29-15-16-14-17(6-7-19(16)34(29,32)33)27-21-20-18(8-13-26-22(20)31)30(28-21)24(11-12-25)9-4-5-10-24/h6-8,13-14H,4-5,9-11,15H2,1-3H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391105 (US9957264, Example 5-176 | US9957264, Example 5-17...) Show SMILES NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM228958 (US9328099, 6-4) Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r| Show InChI InChI=1S/C22H26F2N6O3/c1-21(2,3)33-20(32)29-11-9-22(8-10-25,17(24)13-29)30-12-16(18(26)31)19(28-30)27-15-6-4-14(23)5-7-15/h4-7,12,17H,8-9,11,13H2,1-3H3,(H2,26,31)(H,27,28)/t17-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391016 (US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...) Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391028 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...) Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM390984 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((2- meth...) Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391334 (Trans 2-(1-(3-((4- ((difluoromethyl)sulfonyl) phen...) Show SMILES FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wU:27.32,wD:21.22,(-6.74,-6.02,;-6.27,-4.55,;-7.3,-3.41,;-4.76,-4.23,;-5.08,-2.73,;-4.44,-5.74,;-3.25,-3.91,;-2.22,-5.06,;-.72,-4.74,;-.24,-3.27,;1.27,-2.95,;1.74,-1.49,;.84,-.24,;1.74,1,;3.21,.53,;4.54,1.3,;5.87,.53,;5.87,-1.01,;4.54,-1.78,;4.54,-3.32,;3.21,-1.01,;1.27,2.47,;2.79,2.68,;3.37,4.11,;3.94,5.54,;1.32,4.01,;.01,4.82,;-1.35,4.1,;-1.4,2.56,;-.09,1.74,;-2.65,4.92,;-4.15,4.57,;-4.5,6.07,;-5.81,6.89,;-3,6.42,;-1.27,-2.13,;-2.78,-2.45,)| 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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391188 (2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391194 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391195 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391206 (2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391206 (2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229469 (US9328099, 40-102) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccccc1 Show InChI InChI=1S/C25H26F2N6O3S/c26-24(27)37(35,36)20-8-6-18(7-9-20)31-23-21(22(29)34)16-33(32-23)25(14-15-28)12-10-19(11-13-25)30-17-4-2-1-3-5-17/h1-9,16,19,24,30H,10-14H2,(H2,29,34)(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	0.0500	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM229502 (US9328099, 43-4) Show SMILES CC(F)(F)C(=O)N1CC[C@](CC#N)([C@@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r| Show InChI InChI=1S/C19H19F4N7O2/c1-18(22,23)17(32)29-7-5-19(4-6-24,13(20)10-29)30-9-12(15(25)31)16(28-30)27-11-2-3-14(21)26-8-11/h2-3,8-9,13H,4-5,7,10H2,1H3,(H2,25,31)(H,27,28)/t13-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM228241 (US9328099, 40-64) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1cccc(F)c1 |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.49,-5.07,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-5.54,2.9,;-6.87,3.67,;-4.21,3.67,)| Show InChI InChI=1S/C23H23F2N7O/c24-15-2-1-3-17(12-15)29-16-4-7-23(8-5-16,9-10-26)32-14-19(21(27)33)22(31-32)30-18-6-11-28-20(25)13-18/h1-3,6,11-14,16,29H,4-5,7-9H2,(H2,27,33)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391013 (4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391102 (US9957264, Example 5-173 | US9957264, Example 5-17...) Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM228943 (US9328099, 3-51) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccnc1F Show InChI InChI=1S/C22H21F2N7O/c23-15-3-5-16(6-4-15)28-21-17(20(26)32)14-31(29-21)22(7-10-25)8-12-30(13-9-22)18-2-1-11-27-19(18)24/h1-6,11,14H,7-9,12-13H2,(H2,26,32)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391104 (US9957264, Example 5-175 | [(1R,2R)-2-fluoro-1-{3-...) Show SMILES CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391003 (US9957264, Example 5-74 | methyl 4-(cyanomethyl)-4...) Show SMILES COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC4CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C26H29N7O5S/c1-38-25(35)31-12-8-26(7-10-27,9-13-31)33-20-6-11-28-24(34)22(20)23(30-33)29-19-4-5-21-18(14-19)16-32(39(21,36)37)15-17-2-3-17/h4-6,11,14,17H,2-3,7-9,12-13,15-16H2,1H3,(H,28,34)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM390965 ((2S,5S and 2R,5R)-tert-butyl 5-(cyanomethyl)-5-(3-...) Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391001 (US9957264, Example 5-72 | methyl 4-{3-[(2-ethyl-1,...) Show SMILES CCN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC)ccc2S1(=O)=O Show InChI InChI=1S/C24H27N7O5S/c1-3-30-15-16-14-17(4-5-19(16)37(30,34)35)27-21-20-18(6-11-26-22(20)32)31(28-21)24(7-10-25)8-12-29(13-9-24)23(33)36-2/h4-6,11,14H,3,7-9,12-13,15H2,1-2H3,(H,26,32)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391348 ((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...) Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair

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