Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM232629'   

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))	BDBM232629 (US9346815, 175 | US9604984, Example 175) Show SMILES CCOC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C28H31ClF2N8O4/c1-2-42-22(40)5-3-11-37-13-8-18(9-14-37)39-16-20(24(35-39)19-15-17(29)6-7-21(19)43-28(30)31)34-27(41)23-25(32)36-38-12-4-10-33-26(23)38/h4,6-7,10,12,15-16,18,28H,2-3,5,8-9,11,13-14H2,1H3,(H2,32,36)(H,34,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM232629 (US9346815, 175 | US9604984, Example 175) Show SMILES CCOC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C28H31ClF2N8O4/c1-2-42-22(40)5-3-11-37-13-8-18(9-14-37)39-16-20(24(35-39)19-15-17(29)6-7-21(19)43-28(30)31)34-27(41)23-25(32)36-38-12-4-10-33-26(23)38/h4,6-7,10,12,15-16,18,28H,2-3,5,8-9,11,13-14H2,1H3,(H2,32,36)(H,34,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.780	-51.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair