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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM362422'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM362422
PNG
(US9834554, Example 36)
Show SMILES C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(cc2)C(=O)Nc2cccc(OC3CC3)c2)c2c(N)nccc12
Show InChI InChI=1/C31H34N6O4/c1-18-6-7-21(17-36(18)31(40)19(2)38)27-26-14-15-33-29(32)28(26)37(35-27)23-10-8-20(9-11-23)30(39)34-22-4-3-5-25(16-22)41-24-12-13-24/h3-5,8-11,14-16,18-19,21,24,38H,6-7,12-13,17H2,1-2H3,(H2,32,33)(H,34,39)/t18-,19+,21+/s2
PDB
MMDB

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Article
US Patent
n/an/a 30.4n/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