BDBM278922 2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-[2- (difluoromethyl) phenyl]thieno- [2,3-b]- pyrazine-7- carboxamide trifluoroacetate::US10040802, Example 102

SMILES: OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1

InChI Key: InChIKey=RLQAVXNHLDKHGE-NQQJLSKUSA-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 = 278922   

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))	BDBM278922 (2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-[2- (dif...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F2N5OS.C2HF3O2/c21-18(22)11-5-1-3-7-14(11)26-19(28)12-10-29-20-17(12)27-16(9-24-20)25-15-8-4-2-6-13(15)23;3-2(4,5)1(6)7/h1,3,5,7,9-10,13,15,18H,2,4,6,8,23H2,(H,25,27)(H,26,28);(H,6,7)/t13-,15+;/m0./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	25	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
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