BDBM278880 2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo [2.2.2]oct-2-yl]-N- [4-(difluoromethyl) thiophen-3-yl] thieno[2,3-b] pyrazine-7- carboxamide trifluoroacetate::US10040802, Example 59

SMILES: OC(=O)C(F)(F)F.FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2

InChI Key: InChIKey=BUOUGTGWAFMYLA-DHTOPLTISA-N

Data: 1 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 1 hit for monomerid = 278880   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278880 (2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo [2.2.2]oc...) Show SMILES OC(=O)C(F)(F)F.FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r| Show InChI InChI=1S/C18H17F2N5OS2.C2HF3O2/c19-16(20)11-6-27-8-13(11)23-17(26)12-7-28-18-15(12)24-14(4-22-18)25-5-9-1-2-10(25)3-21-9;3-2(4,5)1(6)7/h4,6-10,16,21H,1-3,5H2,(H,23,26);(H,6,7)/t9-,10-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair