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BDBM362345 US9834554, Example 1

SMILES: CC1(COC1)C(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12

InChI Key: InChIKey=OJLUXUJMSNXAPZ-GNLPSFAGNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362345   
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))
BDBM362345
PNG
(US9834554, Example 1)
Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12
Show InChI InChI=1/C28H26F3N7O4/c1-27(14-41-15-27)26(40)37-10-11-42-20(13-37)22-19-7-9-34-24(32)23(19)38(36-22)18-4-2-16(3-5-18)25(39)35-21-12-17(6-8-33-21)28(29,30)31/h2-9,12,20H,10-11,13-15H2,1H3,(H2,32,34)(H,33,35,39)/t20-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
UniChem
Article
US Patent
n/an/a 2.20n/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