BDBM489940 US10966980, Example 194

SMILES: CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12

InChI Key:

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 489940   

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))	BDBM489940 (US10966980, Example 194) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)| 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	0.00500	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)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM489940 (US10966980, Example 194) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)| 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	0.0770	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM489940 (US10966980, Example 194) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.88	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM489940 (US10966980, Example 194) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)| 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	0.0640	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)
					More data for this Ligand-Target Pair