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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 = 'BDBM267527'   
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))
BDBM267527
PNG
((R)-4-(8-amino-3-(1-(2-cyano-2-methylpropanoyl)pip...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r|
Show InChI InChI=1S/C31H31F2N7O2/c32-31(33)15-23(16-31)30(42)39-12-1-2-22(17-39)28-38-25(26-27(34)36-11-13-40(26)28)19-5-7-20(8-6-19)29(41)37-24-14-21(9-10-35-24)18-3-4-18/h5-11,13-14,18,22-23H,1-4,12,15-17H2,(H2,34,36)(H,35,37,41)/t22-/m1/s1
PDB
MMDB

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US Patent
n/an/an/an/a<10n/an/a7.225



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

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)


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