Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM229331'   

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))	BDBM229331 (US9328099, 37-11) Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN6O3S/c24-17-5-4-8-19(15-17)34(32,33)29-13-10-23(9-12-25,11-14-29)30-16-20(21(26)31)22(28-30)27-18-6-2-1-3-7-18/h1-8,15-16H,9-11,13-14H2,(H2,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
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