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BDBM362424 US9834554, Example 38

SMILES: Nc1nccc(C(=N)[C@@H]2CC[C@H]3CCC(=O)N3C2)c1Nc1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=PHLZHBDUMGLORE-FFXKXJTCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362424   
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))
BDBM362424
PNG
(US9834554, Example 38)
Show SMILES Nc1nccc(C(=N)[C@@H]2CC[C@H]3CCC(=O)N3C2)c1Nc1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C27H26F3N7O2/c28-27(29,30)17-9-11-33-21(13-17)36-26(39)15-1-4-18(5-2-15)35-24-20(10-12-34-25(24)32)23(31)16-3-6-19-7-8-22(38)37(19)14-16/h1-2,4-5,9-13,16,19,31,35H,3,6-8,14H2,(H2,32,34)(H,33,36,39)/t16-,19+/s2
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MMDB

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Article
US Patent
n/an/a 0.170n/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