Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM100350'   

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))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
PORTOLA PHARMACEUTICALS, INC. US Patent					Assay Description Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...				US Patent US10533001 (2020) BindingDB Entry DOI: 10.7270/Q2Z03BJR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description SYK tyrosine phosphorylation activity is measured using the LANCE Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.). ...				US Patent US8937070 (2015) BindingDB Entry DOI: 10.7270/Q2GB22RV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 μL and contains a final concentra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DR2ZQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	5.10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a
PORTOLA PHARMACEUTICALS, INC. US Patent					Assay Description Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...				US Patent US10533001 (2020) BindingDB Entry DOI: 10.7270/Q2Z03BJR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...				US Patent US8937070 (2015) BindingDB Entry DOI: 10.7270/Q2GB22RV
					More data for this Ligand-Target Pair