null

SMILES: NC(=O)c1cn(nc1Nc1ccccc1)C(CC#N)C(F)(F)F

InChI Key: InChIKey=ZTZVJFVBPPJFCR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 257413   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glutathione S-transferase P/Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM257413 (US9493441, 2) Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C(CC#N)C(F)(F)F Show InChI InChI=1S/C14H12F3N5O/c15-14(16,17)11(6-7-18)22-8-10(12(19)23)13(21-22)20-9-4-2-1-3-5-9/h1-5,8,11H,6H2,(H2,19,23)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257413 (US9493441, 2) Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C(CC#N)C(F)(F)F Show InChI InChI=1S/C14H12F3N5O/c15-14(16,17)11(6-7-18)22-8-10(12(19)23)13(21-22)20-9-4-2-1-3-5-9/h1-5,8,11H,6H2,(H2,19,23)(H,20,21)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair