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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 = 'BDBM267476'   
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))
BDBM267476
PNG
(4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...)
Show SMILES CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-.4,8.83,;1.08,9.23,;1.48,10.72,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;2.86,5.56,;2.46,4.08,;.98,3.68,;-.11,4.77,;.58,2.19,;1.67,1.1,;1.27,-.39,;-.22,-.79,;-1.31,.3,;-.91,1.79,;-.62,-2.27,;.29,-3.52,;-.62,-4.77,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,;-2.08,-4.29,;-3.42,-5.06,;-4.75,-4.29,;-4.75,-2.75,;-3.42,-1.98,;-3.42,-.44,;-2.08,-2.75,;1.77,6.65,)|
Show InChI InChI=1S/C27H30N6O2/c1-16(2)20-11-12-29-22(15-20)31-27(35)19-5-3-17(4-6-19)23-24-25(28)30-13-14-33(24)26(32-23)18-7-9-21(34)10-8-18/h3-6,11-16,18,21,34H,7-10H2,1-2H3,(H2,28,30)(H,29,31,35)/t18-,21-
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