Compile Data Set for Download or QSAR

Found 4317 hits with Last Name = 'goodacre' and Initial = 'c'   

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 JAK2 (Homo sapiens (Human))	BDBM50545960 (CHEMBL4740778 | US11649241, Example 9) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545980 (CHEMBL4764019) Show SMILES FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545979 (CHEMBL4742159) Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545987 (CHEMBL4746726) Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545986 (CHEMBL4789075) Show SMILES Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232618 (US9346815, 164 | US9604984, Example 164) Show SMILES CN1CCN(CCCN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1=O Show InChI InChI=1S/C29H33ClF2N10O3/c1-38-14-15-40(29(38)44)10-3-9-39-12-6-19(7-13-39)42-17-21(24(36-42)20-16-18(30)4-5-22(20)45-28(31)32)35-27(43)23-25(33)37-41-11-2-8-34-26(23)41/h2,4-5,8,11,16-17,19,28H,3,6-7,9-10,12-15H2,1H3,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	-57.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232618 (US9346815, 164 | US9604984, Example 164) Show SMILES CN1CCN(CCCN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1=O Show InChI InChI=1S/C29H33ClF2N10O3/c1-38-14-15-40(29(38)44)10-3-9-39-12-6-19(7-13-39)42-17-21(24(36-42)20-16-18(30)4-5-22(20)45-28(31)32)35-27(43)23-25(33)37-41-11-2-8-34-26(23)41/h2,4-5,8,11,16-17,19,28H,3,6-7,9-10,12-15H2,1H3,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232751 (US9346815, 297 | US9604984, Example 297) Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)| Show InChI InChI=1S/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	-57.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232751 (US9346815, 297 | US9604984, Example 297) Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)| Show InChI InChI=1S/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545944 (CHEMBL4744172) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545961 (CHEMBL4793262) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50545987 (CHEMBL4746726) Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545964 (CHEMBL4746416) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM366982 (4,4,4-trifluoro-1-[4-[2- [4-[4-(4-pyridyl)-1,4- di...) Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCN(CC3)c3ccncc3)nc12 |c:11| Show InChI InChI=1S/C32H33F3N8O2/c33-32(34,35)13-8-28(44)41-19-11-23(12-20-41)27-3-1-18-43-29(27)38-31(39-43)37-25-6-4-24(5-7-25)30(45)42-17-2-16-40(21-22-42)26-9-14-36-15-10-26/h1,3-7,9-11,14-15,18H,2,8,12-13,16-17,19-22H2,(H,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2CC130F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545965 (CHEMBL4788860 | US11649241, Example 7) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545945 (CHEMBL4777342) Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232628 (US9346815, 174 | US9604984, Example 174) Show SMILES CC(C)CN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C26H29ClF2N8O2/c1-15(2)13-35-10-6-17(7-11-35)37-14-19(22(33-37)18-12-16(27)4-5-20(18)39-26(28)29)32-25(38)21-23(30)34-36-9-3-8-31-24(21)36/h3-5,8-9,12,14-15,17,26H,6-7,10-11,13H2,1-2H3,(H2,30,34)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232631 (US9346815, 177 | US9604984, Example 177) Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	-56.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232628 (US9346815, 174 | US9604984, Example 174) Show SMILES CC(C)CN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C26H29ClF2N8O2/c1-15(2)13-35-10-6-17(7-11-35)37-14-19(22(33-37)18-12-16(27)4-5-20(18)39-26(28)29)32-25(38)21-23(30)34-36-9-3-8-31-24(21)36/h3-5,8-9,12,14-15,17,26H,6-7,10-11,13H2,1-2H3,(H2,30,34)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	-56.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232631 (US9346815, 177 | US9604984, Example 177) Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545963 (CHEMBL4760406 | US11649241, Example 13) Show SMILES Cc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232720 (US9346815, 266 | US9604984, Example 266) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H25ClF2N8O4/c26-15-2-3-18(40-25(27)28)16(10-15)21-17(31-24(39)20-22(29)33-36-7-1-6-30-23(20)36)11-35(32-21)12-19(38)34-8-4-14(13-37)5-9-34/h1-3,6-7,10-11,14,25,37H,4-5,8-9,12-13H2,(H2,29,33)(H,31,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232664 (US9346815, 210 | US9604984, Example 210) Show SMILES CCCCN(C)CC#Cc1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H23ClF2N6O2S/c1-3-4-11-33(2)12-5-7-20-31-21(17-14-16(26)8-9-19(17)36-25(27)28)24(37-20)32-23(35)18-15-30-34-13-6-10-29-22(18)34/h6,8-10,13-15,25H,3-4,11-12H2,1-2H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232602 (US9346815, 148 | US9604984, Example 148) Show SMILES CN(C)C(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C28H32ClF2N9O3/c1-37(2)22(41)5-3-11-38-13-8-18(9-14-38)40-16-20(24(35-40)19-15-17(29)6-7-21(19)43-28(30)31)34-27(42)23-25(32)36-39-12-4-10-33-26(23)39/h4,6-7,10,12,15-16,18,28H,3,5,8-9,11,13-14H2,1-2H3,(H2,32,36)(H,34,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232602 (US9346815, 148 | US9604984, Example 148) Show SMILES CN(C)C(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C28H32ClF2N9O3/c1-37(2)22(41)5-3-11-38-13-8-18(9-14-38)40-16-20(24(35-40)19-15-17(29)6-7-21(19)43-28(30)31)34-27(42)23-25(32)36-39-12-4-10-33-26(23)39/h4,6-7,10,12,15-16,18,28H,3,5,8-9,11,13-14H2,1-2H3,(H2,32,36)(H,34,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179848 (2'-fluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidazo[1,...) Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha5 receptor plus beta3gamma2				Bioorg Med Chem Lett 16: 1582-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.027 BindingDB Entry DOI: 10.7270/Q25B022B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232664 (US9346815, 210 | US9604984, Example 210) Show SMILES CCCCN(C)CC#Cc1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H23ClF2N6O2S/c1-3-4-11-33(2)12-5-7-20-31-21(17-14-16(26)8-9-19(17)36-25(27)28)24(37-20)32-23(35)18-15-30-34-13-6-10-29-22(18)34/h6,8-10,13-15,25H,3-4,11-12H2,1-2H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232720 (US9346815, 266 | US9604984, Example 266) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H25ClF2N8O4/c26-15-2-3-18(40-25(27)28)16(10-15)21-17(31-24(39)20-22(29)33-36-7-1-6-30-23(20)36)11-35(32-21)12-19(38)34-8-4-14(13-37)5-9-34/h1-3,6-7,10-11,14,25,37H,4-5,8-9,12-13H2,(H2,29,33)(H,31,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50180003 (4,2-difluoro-5-[7-(1-hydroxy-1-methylethyl)imidazo...) Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N Show InChI InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells				J Med Chem 49: 35-8 (2006) Article DOI: 10.1021/jm051065l BindingDB Entry DOI: 10.7270/Q21R6RBC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50545986 (CHEMBL4789075) Show SMILES Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM613466 (1-[4-(cyanomethyl)-3-fluoro-1- [(2-fluoro-5-hydrox...) Show SMILES NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20C50WZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232744 (US9346815, 290 | US9604984, Example 290) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	-56.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232744 (US9346815, 290 | US9604984, Example 290) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM613454 (US11731943, Example 195 | methyl N-[4-carbamoyl-1-...) Show SMILES COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2ccccc2)CC1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20C50WZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50545979 (CHEMBL4742159) Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.008 BindingDB Entry DOI: 10.7270/Q269776T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232736 (US9346815, 282 | US9604984, Example 282) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(F)(F)C2)nc1-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C23H19ClF4N8O3/c24-12-2-3-15(39-22(25)26)13(8-12)18-14(9-35(32-18)10-16(37)34-7-4-23(27,28)11-34)31-21(38)17-19(29)33-36-6-1-5-30-20(17)36/h1-3,5-6,8-9,22H,4,7,10-11H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232630 (US9346815, 176 | US9604984, Example 176) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1 Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-56.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179995 (3'-(7-methyl-imidazo[1,2-a]pyrimidin-3-yl)-bipheny...) Show SMILES Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N Show InChI InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells				J Med Chem 49: 35-8 (2006) Article DOI: 10.1021/jm051065l BindingDB Entry DOI: 10.7270/Q21R6RBC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232736 (US9346815, 282 | US9604984, Example 282) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(F)(F)C2)nc1-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C23H19ClF4N8O3/c24-12-2-3-15(39-22(25)26)13(8-12)18-14(9-35(32-18)10-16(37)34-7-4-23(27,28)11-34)31-21(38)17-19(29)33-36-6-1-5-30-20(17)36/h1-3,5-6,8-9,22H,4,7,10-11H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-56.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232630 (US9346815, 176 | US9604984, Example 176) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1 Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM613466 (1-[4-(cyanomethyl)-3-fluoro-1- [(2-fluoro-5-hydrox...) Show SMILES NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20C50WZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM366699 (3-[[1-[2-[4-[[8-[4-(4- chlorophenyl)-4- (hydroxyme...) Show SMILES CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C32H39ClN10O2/c1-39(14-3-13-34)27-9-16-41(17-10-27)29(45)22-42-21-26(20-35-42)36-31-37-30-28(4-2-15-43(30)38-31)40-18-11-32(23-44,12-19-40)24-5-7-25(33)8-6-24/h2,4-8,15,20-21,27,44H,3,9-12,14,16-19,22-23H2,1H3,(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2CC130F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232511 (US9346815, 57 | US9604984, Example 57) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232725 (US9346815, 271 | US9604984, Example 271) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232615 (US9346815, 161 | US9604984, Example 161) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1 Show InChI InChI=1S/C29H33ClF2N8O4S/c30-20-3-4-25(44-29(31)32)22(17-20)26-24(35-28(41)23-18-34-39-10-1-7-33-27(23)39)19-40(36-26)21-5-11-37(12-6-21)8-2-9-38-13-15-45(42,43)16-14-38/h1,3-4,7,10,17-19,21,29H,2,5-6,8-9,11-16H2,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232627 (US9346815, 173 | US9604984, Example 173) Show SMILES CC(=O)N1CCC(CN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1 Show InChI InChI=1S/C30H34ClF2N9O3/c1-18(43)40-13-5-19(6-14-40)16-39-11-7-21(8-12-39)42-17-23(26(37-42)22-15-20(31)3-4-24(22)45-30(32)33)36-29(44)25-27(34)38-41-10-2-9-35-28(25)41/h2-4,9-10,15,17,19,21,30H,5-8,11-14,16H2,1H3,(H2,34,38)(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232511 (US9346815, 57 | US9604984, Example 57) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-55.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232600 (US9346815, 146 | US9604984, Example 146) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1 Show InChI InChI=1S/C29H32ClF2N9O3/c30-18-5-6-22(44-29(31)32)20(16-18)25-21(35-28(43)24-26(33)37-40-13-2-9-34-27(24)40)17-41(36-25)19-7-14-38(15-8-19)10-3-12-39-11-1-4-23(39)42/h2,5-6,9,13,16-17,19,29H,1,3-4,7-8,10-12,14-15H2,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232725 (US9346815, 271 | US9604984, Example 271) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-55.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232600 (US9346815, 146 | US9604984, Example 146) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1 Show InChI InChI=1S/C29H32ClF2N9O3/c30-18-5-6-22(44-29(31)32)20(16-18)25-21(35-28(43)24-26(33)37-40-13-2-9-34-27(24)40)17-41(36-25)19-7-14-38(15-8-19)10-3-12-39-11-1-4-23(39)42/h2,5-6,9,13,16-17,19,29H,1,3-4,7-8,10-12,14-15H2,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-55.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair

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