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BDBM362368 4-(7-amino-3-{(3R)-1- [(2,2-difluorocyclopropyl) carbonyl]piperidin-3-yl}-1H- pyrazolo[3,4-c]pyridin-1- yl)-N-[4-(trifluoromethyl)pyridin- 2-yl]benzamide::US9834554, Example 12

SMILES: Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1(F)F

InChI Key: InChIKey=NVLKWXDJYKCDFL-PIBXODDPNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362368   
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))
BDBM362368
PNG
(4-(7-amino-3-{(3R)-1- [(2,2-difluorocyclopropyl) c...)
Show SMILES Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1(F)F
Show InChI InChI=1/C28H24F5N7O2/c29-27(30)13-20(27)26(42)39-11-1-2-16(14-39)22-19-8-10-36-24(34)23(19)40(38-22)18-5-3-15(4-6-18)25(41)37-21-12-17(7-9-35-21)28(31,32)33/h3-10,12,16,20H,1-2,11,13-14H2,(H2,34,36)(H,35,37,41)/t16-,20?/s2
PDB
MMDB

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Article
US Patent
n/an/a 3n/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