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SMILES: COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 489962   

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 JAK1 (Homo sapiens (Human))	BDBM489962 (US10966980, Example 216) Show SMILES COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM489962 (US10966980, Example 216) Show SMILES COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.908	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM489962 (US10966980, Example 216) Show SMILES COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.05	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM489962 (US10966980, Example 216) Show SMILES COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair