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SMILES: CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCC(O)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 659004   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM659004 (US20240092758, Example 121) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCC(O)CC1 |t:28,(-3.46,.91,;-4.79,1.68,;-6.13,.91,;-7.46,1.68,;-8.8,.91,;-10.13,1.68,;-8.8,-.63,;-7.46,-1.4,;-6.13,-.63,;-4.79,-1.4,;-3.46,-.63,;-2.13,-1.4,;-2.13,-2.94,;-.98,-3.97,;-1.61,-5.38,;-3.14,-5.22,;-3.46,-3.71,;-4.79,-2.94,;-6.13,-3.71,;.52,-3.65,;1.15,-2.25,;2.68,-2.41,;3,-3.91,;1.67,-4.68,;3.71,-1.26,;5.22,-1.58,;6.25,-.44,;5.77,1.03,;4.27,1.35,;3.24,.2,;6.86,2.11,;8.35,1.72,;9.44,2.8,;9.04,4.29,;10.13,5.38,;7.55,4.69,;6.46,3.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM659004 (US20240092758, Example 121) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCC(O)CC1 |t:28,(-3.46,.91,;-4.79,1.68,;-6.13,.91,;-7.46,1.68,;-8.8,.91,;-10.13,1.68,;-8.8,-.63,;-7.46,-1.4,;-6.13,-.63,;-4.79,-1.4,;-3.46,-.63,;-2.13,-1.4,;-2.13,-2.94,;-.98,-3.97,;-1.61,-5.38,;-3.14,-5.22,;-3.46,-3.71,;-4.79,-2.94,;-6.13,-3.71,;.52,-3.65,;1.15,-2.25,;2.68,-2.41,;3,-3.91,;1.67,-4.68,;3.71,-1.26,;5.22,-1.58,;6.25,-.44,;5.77,1.03,;4.27,1.35,;3.24,.2,;6.86,2.11,;8.35,1.72,;9.44,2.8,;9.04,4.29,;10.13,5.38,;7.55,4.69,;6.46,3.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair