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BDBM362401 US9834554, Example 28

SMILES: COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1

InChI Key: InChIKey=ZZPFOEKQNKUESQ-TWYLJJHKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362401   
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))
BDBM362401
PNG
(US9834554, Example 28)
Show SMILES COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1
Show InChI InChI=1/C29H31N7O4/c1-29(16-40-17-29)28(38)35-13-3-4-19(15-35)24-22-10-12-32-26(30)25(22)36(34-24)20-7-5-18(6-8-20)27(37)33-23-14-21(39-2)9-11-31-23/h5-12,14,19H,3-4,13,15-17H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/s2
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MMDB

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KEGG

UniProtKB/SwissProt

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Article
US Patent
n/an/a 0.490n/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