BDBM50519547 CHEMBL4581296

SMILES: CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(cc1OC)C(N)=O

InChI Key: InChIKey=PENFDVUMLLDOTA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50519547   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50519547 (CHEMBL4581296) Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(cc1OC)C(N)=O Show InChI InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	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
JAK1/TYK2 (Homo sapiens (Human))	BDBM50519547 (CHEMBL4581296) Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(cc1OC)C(N)=O Show InChI InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	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