null

SMILES: CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 159771   

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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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	412	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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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	>1.00E+4	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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.19E+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/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor				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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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	4.46E+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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.19E+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) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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	412	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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	412	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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| 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	>1.00E+4	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))	BDBM159771 (US10966980, Example 22 | US9035074, 22) Show SMILES CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt 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