null

SMILES: CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=OHVBNWWHXLNGRJ-BETUJISGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50243852   

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))	BDBM50243852 (CHEMBL4103698) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)| Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50243852 (CHEMBL4103698) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)| Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	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))	BDBM50243852 (CHEMBL4103698) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)| Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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 JAK2 (Homo sapiens (Human))	BDBM50243852 (CHEMBL4103698) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)| Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+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))	BDBM50243852 (CHEMBL4103698) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)| Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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