Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM477067'   

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 JAK2 (Homo sapiens (Human))	BDBM477067 (US10882859, Example 2(a)) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
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