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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 = 'BDBM362393'   
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))
BDBM362393
PNG
(4-(7-amino-3-{(3R)-1-[(2- methoxyethoxy)acetyl] pi...)
Show SMILES COCCOCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12
Show InChI InChI=1/C29H30F3N7O4/c1-42-13-14-43-17-24(40)38-12-2-3-19(16-38)25-22-9-11-35-27(33)26(22)39(37-25)21-6-4-18(5-7-21)28(41)36-23-15-20(8-10-34-23)29(30,31)32/h4-11,15,19H,2-3,12-14,16-17H2,1H3,(H2,33,35)(H,34,36,41)/t19-/s2
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
Article
US Patent
n/an/a 1.20n/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