Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [850-1154]' and Ligand = 'BDBM458960'   

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] ()	BDBM458960 (US10759793, Example 104) Show SMILES OCCOc1cc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H23N9O2/c24-11-17-12-26-21(14-25-17)31-6-3-4-16(15-31)28-20-10-22(34-9-8-33)30-23(29-20)18-13-27-32-7-2-1-5-19(18)32/h1-2,5,7,10,12-14,16,33H,3-4,6,8-9,15H2,(H,28,29,30)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
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