Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM472914'   

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))	BDBM472914 (US10836763, Example 2 | US10844057, Example 2 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H35N7O2/c1-4-10-37-17-27-26(14-28(37)31(40)38-16-20-13-21(38)15-36(20)3)32-30(33-27)29-24-8-6-19(12-25(24)34-35-29)23-9-7-22(39)11-18(23)5-2/h6-9,11-12,20-21,28,39H,4-5,10,13-17H2,1-3H3/b30-29-/t20-,21-,28-/m0/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))	BDBM472914 (US10836763, Example 2 | US10844057, Example 2 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H35N7O2/c1-4-10-37-17-27-26(14-28(37)31(40)38-16-20-13-21(38)15-36(20)3)32-30(33-27)29-24-8-6-19(12-25(24)34-35-29)23-9-7-22(39)11-18(23)5-2/h6-9,11-12,20-21,28,39H,4-5,10,13-17H2,1-3H3/b30-29-/t20-,21-,28-/m0/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))	BDBM472914 (US10836763, Example 2 | US10844057, Example 2 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H35N7O2/c1-4-10-37-17-27-26(14-28(37)31(40)38-16-20-13-21(38)15-36(20)3)32-30(33-27)29-24-8-6-19(12-25(24)34-35-29)23-9-7-22(39)11-18(23)5-2/h6-9,11-12,20-21,28,39H,4-5,10,13-17H2,1-3H3/b30-29-/t20-,21-,28-/m0/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