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BDBM278728 2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-chloro-1-methyl- 1H-pyrazol-4- yl)pyrrolo[1,2- b]pyridazine-7- carboxamide trifluoroacetate::US10040798, Example 25

SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1

InChI Key: InChIKey=YZAREXVQHHESEZ-JHEYCYPBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278728   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278728
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-chloro...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r|
Show InChI InChI=1S/C18H22ClN7O.C2HF3O2/c1-25-10-14(17(19)24-25)22-18(27)15-8-6-11-7-9-16(23-26(11)15)21-13-5-3-2-4-12(13)20;3-2(4,5)1(6)7/h6-10,12-13H,2-5,20H2,1H3,(H,21,23)(H,22,27);(H,6,7)/t12-,13+;/m0./s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.2n/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 US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair