Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM475608'   

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))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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%...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>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 US10851102 (2020) BindingDB Entry DOI: 10.7270/Q2N87DV3
					More data for this Ligand-Target Pair