Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM487314'   

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))	BDBM487314 (US10947254, Example 5-36 | US11780852, Example 5-3...) Show SMILES CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |THB:5:8:10.11:13.14.15| Show InChI InChI=1S/C30H43N9O2S/c1-4-30(9-10-30)42(40,41)39-23-6-7-24(39)17-22(16-23)32-29-25-8-5-21(19-38-13-11-37(3)12-14-38)31-26(25)18-27(34-29)33-28-15-20(2)35-36-28/h5,8,15,18,22-24H,4,6-7,9-14,16-17,19H2,1-3H3,(H3,32,33,34,35,36)/t22-,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM487314 (US10947254, Example 5-36 | US11780852, Example 5-3...) Show SMILES CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |THB:5:8:10.11:13.14.15| Show InChI InChI=1S/C30H43N9O2S/c1-4-30(9-10-30)42(40,41)39-23-6-7-24(39)17-22(16-23)32-29-25-8-5-21(19-38-13-11-37(3)12-14-38)31-26(25)18-27(34-29)33-28-15-20(2)35-36-28/h5,8,15,18,22-24H,4,6-7,9-14,16-17,19H2,1-3H3,(H3,32,33,34,35,36)/t22-,23-,24+	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
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10947254 (2021) BindingDB Entry DOI: 10.7270/Q2KH0RF0
					More data for this Ligand-Target Pair