BDBM278930 2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(4- chlorothiophen- 3-yl)thieno[2,3-b]- pyrazine-7- carboxamide trifluoroacetate::US10040802, Example 110

SMILES: OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Cl)c2n1

InChI Key: InChIKey=IJANPCZUQIXHOQ-ZVWHLABXSA-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 = 278930   

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))	BDBM278930 (2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(4- chlo...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Cl)c2n1 |r| Show InChI InChI=1S/C17H18ClN5OS2.C2HF3O2/c18-10-7-25-8-13(10)22-16(24)9-6-26-17-15(9)23-14(5-20-17)21-12-4-2-1-3-11(12)19;3-2(4,5)1(6)7/h5-8,11-12H,1-4,19H2,(H,21,23)(H,22,24);(H,6,7)/t11-,12+;/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	0.700	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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