Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50243841   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50243841 (CHEMBL4077614) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)| Show InChI InChI=1S/C16H24N6O2S/c1-21(16-14-5-6-17-15(14)18-11-19-16)13-9-12(10-13)20-25(23,24)22-7-3-2-4-8-22/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,17,18,19)/t12-,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50243841 (CHEMBL4077614) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)| Show InChI InChI=1S/C16H24N6O2S/c1-21(16-14-5-6-17-15(14)18-11-19-16)13-9-12(10-13)20-25(23,24)22-7-3-2-4-8-22/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,17,18,19)/t12-,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	437	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
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50243841 (CHEMBL4077614) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)| Show InChI InChI=1S/C16H24N6O2S/c1-21(16-14-5-6-17-15(14)18-11-19-16)13-9-12(10-13)20-25(23,24)22-7-3-2-4-8-22/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,17,18,19)/t12-,13+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	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))	BDBM50243841 (CHEMBL4077614) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)| Show InChI InChI=1S/C16H24N6O2S/c1-21(16-14-5-6-17-15(14)18-11-19-16)13-9-12(10-13)20-25(23,24)22-7-3-2-4-8-22/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,17,18,19)/t12-,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	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))	BDBM50243841 (CHEMBL4077614) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)| Show InChI InChI=1S/C16H24N6O2S/c1-21(16-14-5-6-17-15(14)18-11-19-16)13-9-12(10-13)20-25(23,24)22-7-3-2-4-8-22/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,17,18,19)/t12-,13+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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