Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM472922'   

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))	BDBM472922 (US10836763, Example 5 | US10844057, Example 5 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H35N7O3/c1-4-19-13-21(39)6-8-22(19)20-5-7-23-24(14-20)33-34-28(23)29-31-25-15-27(35(3)17-26(25)32-29)30(40)37-10-9-36(11-12-38)16-18(37)2/h5-8,13-14,18,27,38-39H,4,9-12,15-17H2,1-3H3/b29-28-/t18-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472922 (US10836763, Example 5 | US10844057, Example 5 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H35N7O3/c1-4-19-13-21(39)6-8-22(19)20-5-7-23-24(14-20)33-34-28(23)29-31-25-15-27(35(3)17-26(25)32-29)30(40)37-10-9-36(11-12-38)16-18(37)2/h5-8,13-14,18,27,38-39H,4,9-12,15-17H2,1-3H3/b29-28-/t18-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0500	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/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472922 (US10836763, Example 5 | US10844057, Example 5 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H35N7O3/c1-4-19-13-21(39)6-8-22(19)20-5-7-23-24(14-20)33-34-28(23)29-31-25-15-27(35(3)17-26(25)32-29)30(40)37-10-9-36(11-12-38)16-18(37)2/h5-8,13-14,18,27,38-39H,4,9-12,15-17H2,1-3H3/b29-28-/t18-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair