Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [850-1154]' and Ligand = 'BDBM449876'   

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 [850-1154] (Homo sapiens (Human))	BDBM449876 (US10703751, Example 2 | US10703751, Example 3 | tr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(1.71,-18.63,;3.03,-19.4,;4.36,-18.63,;4.36,-17.09,;5.69,-16.32,;6.01,-14.81,;4.98,-13.67,;3.48,-13.99,;2.45,-12.84,;2.92,-11.38,;1.89,-10.23,;.38,-10.55,;-1.12,-10.87,;4.43,-11.06,;5.46,-12.2,;7.54,-14.65,;8.17,-16.06,;7.03,-17.09,;7.03,-18.63,;5.69,-19.4,;8.31,-13.32,;7.54,-11.98,;9.85,-13.32,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.48	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449876 (US10703751, Example 2 | US10703751, Example 3 | tr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(1.71,-18.63,;3.03,-19.4,;4.36,-18.63,;4.36,-17.09,;5.69,-16.32,;6.01,-14.81,;4.98,-13.67,;3.48,-13.99,;2.45,-12.84,;2.92,-11.38,;1.89,-10.23,;.38,-10.55,;-1.12,-10.87,;4.43,-11.06,;5.46,-12.2,;7.54,-14.65,;8.17,-16.06,;7.03,-17.09,;7.03,-18.63,;5.69,-19.4,;8.31,-13.32,;7.54,-11.98,;9.85,-13.32,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	44.4	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair