null

SMILES: CCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12

InChI Key: InChIKey=IDDIQHDUGCPLIH-PHIMTYICSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50243899   

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 JAK2 (Homo sapiens (Human))	BDBM50243899 (CHEMBL4089286) Show SMILES CCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.56,-10.65,;16.23,-11.42,;14.89,-10.65,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;12.23,-10.66,;10.9,-11.43,;9.41,-11.04,;9.01,-12.53,;10.5,-12.92,;7.68,-13.31,;6.35,-12.54,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-18-22(20,21)8-10-6-11(7-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	377	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))	BDBM50243899 (CHEMBL4089286) Show SMILES CCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.56,-10.65,;16.23,-11.42,;14.89,-10.65,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;12.23,-10.66,;10.9,-11.43,;9.41,-11.04,;9.01,-12.53,;10.5,-12.92,;7.68,-13.31,;6.35,-12.54,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-18-22(20,21)8-10-6-11(7-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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))	BDBM50243899 (CHEMBL4089286) Show SMILES CCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.56,-10.65,;16.23,-11.42,;14.89,-10.65,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;12.23,-10.66,;10.9,-11.43,;9.41,-11.04,;9.01,-12.53,;10.5,-12.92,;7.68,-13.31,;6.35,-12.54,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-18-22(20,21)8-10-6-11(7-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+	PDB KEGG UniProtKB/SwissProt 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