BDBM311565 2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbamoyl-1- (2-hydroxyethyl)-1H- pyrazol-4- yl]pyrrolo[2,1- f][1,2,4]triazine-7- carboxamide trifluoroacetate::US10155765, Example 63

SMILES: N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1

InChI Key: InChIKey=LHEQYSVJSDPUOH-QWHCGFSZSA-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 = 311565   

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))	BDBM311565 (2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...) Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1 |r| Show InChI InChI=1S/C19H25N9O3/c20-12-3-1-2-4-13(12)24-19-22-9-11-5-6-15(28(11)26-19)18(31)23-14-10-27(7-8-29)25-16(14)17(21)30/h5-6,9-10,12-13,29H,1-4,7-8,20H2,(H2,21,30)(H,23,31)(H,24,26)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	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 US10155765 (2018) BindingDB Entry DOI: 10.7270/Q21V5H2J
					More data for this Ligand-Target Pair