BDBM159747 US10966980, Example 1::US9035074, 1

SMILES: CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12

InChI Key:

Data: 13 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 13 hits for monomerid = 159747   

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))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| 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	22	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))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| 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	381	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 JAK3 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>9.22E+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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.02E+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
JAK1/TYK2 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN...				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in CD34+ human whole blood assessed as reduction in EOP induced STAT5 phosphorylation preincubated for 45 mins followed by EOP add...				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.02E+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 JAK1 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human TYK2 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| 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	22	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))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| 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	381	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))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>9.22E+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 JAK2 (Homo sapiens (Human))	BDBM159747 (US10966980, Example 1 | US9035074, 1) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
					More data for this Ligand-Target Pair