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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 = 'BDBM267925'   
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))
BDBM267925
PNG
(4-{8-amino-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-y...)
Show SMILES CCOCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
Show InChI InChI=1S/C28H30F3N7O3/c1-3-40-12-10-37-11-13-41-21(16-37)26-36-23(24-25(32)34-15-17(2)38(24)26)18-4-6-19(7-5-18)27(39)35-22-14-20(8-9-33-22)28(29,30)31/h4-9,14-15,21H,3,10-13,16H2,1-2H3,(H2,32,34)(H,33,35,39)/t21-/m1/s1
PDB
MMDB

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US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

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 US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair