BDBM50519536 CHEMBL4559585

SMILES: CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC

InChI Key: InChIKey=WIXZZUOTUAIJAZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50519536   

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
JAK1/TYK2 (Homo sapiens (Human))	BDBM50519536 (CHEMBL4559585) Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay				J Med Chem 62: 8973-8995 (2019) Article DOI: 10.1021/acs.jmedchem.9b00444
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50519536 (CHEMBL4559585) Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG by in vitro patch clamp method				J Med Chem 62: 8973-8995 (2019) Article DOI: 10.1021/acs.jmedchem.9b00444
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Mus musculus)	BDBM50519536 (CHEMBL4559585) Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ...				J Med Chem 62: 8973-8995 (2019) Article DOI: 10.1021/acs.jmedchem.9b00444
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50519536 (CHEMBL4559585) Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ...				J Med Chem 62: 8973-8995 (2019) Article DOI: 10.1021/acs.jmedchem.9b00444
					More data for this Ligand-Target Pair