BDBM50519541 CHEMBL4527672

SMILES: CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC

InChI Key: InChIKey=FXNUIYODKGAABX-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 = 50519541   

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))	BDBM50519541 (CHEMBL4527672) Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC Show InChI InChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(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	64	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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50519541 (CHEMBL4527672) Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC Show InChI InChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(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	870	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