BDBM50243812 CHEMBL4059667

SMILES: CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=FEWYOEFWRYEMQU-AOOOYVTPSA-N

Data: 5 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 5 hits for monomerid = 50243812   

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))	BDBM50243812 (CHEMBL4059667) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)| Show InChI InChI=1S/C14H19N5O2S/c1-19(14-12-4-5-15-13(12)16-8-17-14)10-6-9(7-10)18-22(20,21)11-2-3-11/h4-5,8-11,18H,2-3,6-7H2,1H3,(H,15,16,17)/t9-,10+	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	31	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))	BDBM50243812 (CHEMBL4059667) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)| Show InChI InChI=1S/C14H19N5O2S/c1-19(14-12-4-5-15-13(12)16-8-17-14)10-6-9(7-10)18-22(20,21)11-2-3-11/h4-5,8-11,18H,2-3,6-7H2,1H3,(H,15,16,17)/t9-,10+	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50243812 (CHEMBL4059667) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)| Show InChI InChI=1S/C14H19N5O2S/c1-19(14-12-4-5-15-13(12)16-8-17-14)10-6-9(7-10)18-22(20,21)11-2-3-11/h4-5,8-11,18H,2-3,6-7H2,1H3,(H,15,16,17)/t9-,10+	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	770	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))	BDBM50243812 (CHEMBL4059667) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)| Show InChI InChI=1S/C14H19N5O2S/c1-19(14-12-4-5-15-13(12)16-8-17-14)10-6-9(7-10)18-22(20,21)11-2-3-11/h4-5,8-11,18H,2-3,6-7H2,1H3,(H,15,16,17)/t9-,10+	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	1.99E+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
JAK1/TYK2 (Homo sapiens (Human))	BDBM50243812 (CHEMBL4059667) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)| Show InChI InChI=1S/C14H19N5O2S/c1-19(14-12-4-5-15-13(12)16-8-17-14)10-6-9(7-10)18-22(20,21)11-2-3-11/h4-5,8-11,18H,2-3,6-7H2,1H3,(H,15,16,17)/t9-,10+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	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