Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [850-1154]' and Ligand = 'BDBM458956'   

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] ()	BDBM458956 (US10759793, Example 100) Show SMILES Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C25H24N8O/c1-17-7-8-18(14-27-17)21-13-23(29-19-5-4-11-32(16-19)24(34)9-10-26)31-25(30-21)20-15-28-33-12-3-2-6-22(20)33/h2-3,6-8,12-15,19H,4-5,9,11,16H2,1H3,(H,29,30,31)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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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