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BDBM362351 4-{7-amino-3-[(2R)-4- propanoylmorpholin-2- yl]-1H-pyrazolo[3,4-c] pyridin-1-yl}-N-[4- (trifluoromethyl)pyridin-2-yl] benzamide::US9834554, Example 3

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

InChI Key: InChIKey=QZNAGSJHKRXROB-TWYLJJHKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362351   
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))
BDBM362351
PNG
(4-{7-amino-3-[(2R)-4- propanoylmorpholin-2- yl]-1H...)
Show SMILES CCC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12
Show InChI InChI=1/C26H24F3N7O3/c1-2-21(37)35-11-12-39-19(14-35)22-18-8-10-32-24(30)23(18)36(34-22)17-5-3-15(4-6-17)25(38)33-20-13-16(7-9-31-20)26(27,28)29/h3-10,13,19H,2,11-12,14H2,1H3,(H2,30,32)(H,31,33,38)/t19-/s2
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
UniChem
Article
US Patent
n/an/a 1.80n/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