BDBM159776 US10966980, Example 26::US9035074, 26

SMILES: CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12

InChI Key:

Data: 8 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 8 hits for monomerid = 159776   

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))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
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 US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	7.4	25
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 US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	358	n/a	n/a	n/a	n/a	7.4	25
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 US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	358	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 JAK1 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	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 JAK3 (Homo sapiens (Human))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.88E+3	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))	BDBM159776 (US10966980, Example 26 | US9035074, 26) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	7.4	25
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 US9035074 (2015) BindingDB Entry DOI: 10.7270/Q26H4G56
					More data for this Ligand-Target Pair