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BDBM362362 4-{3-[(2R)-4- acetylmorpholin-2-yl]- 7-amino-1H- pyrazolo[3,4-c]pyridin-1-yl}-N-(4- methoxypyridin-2-yl)benzamide::US9834554, Example 6

SMILES: COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@H]3CN(CCO3)C(C)=O)c3ccnc(N)c23)c1

InChI Key: InChIKey=VQRPLQZSRCNIQV-GNLPSFAGNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362362   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM362362
PNG
(4-{3-[(2R)-4- acetylmorpholin-2-yl]- 7-amino-1H- p...)
Show SMILES COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@H]3CN(CCO3)C(C)=O)c3ccnc(N)c23)c1
Show InChI InChI=1/C25H25N7O4/c1-15(33)31-11-12-36-20(14-31)22-19-8-10-28-24(26)23(19)32(30-22)17-5-3-16(4-6-17)25(34)29-21-13-18(35-2)7-9-27-21/h3-10,13,20H,11-12,14H2,1-2H3,(H2,26,28)(H,27,29,34)/t20-/s2
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Article
US Patent
n/an/a 28.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9834554 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.095
More data for this
Ligand-Target Pair