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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 = 'BDBM267481'   
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))
BDBM267481
PNG
(4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:22.22,wD:25.26,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;1.27,.01,;1.67,1.5,;3.15,1.9,;4.24,.81,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)|
Show InChI InChI=1S/C28H32N6O3/c1-3-4-17-11-12-30-23(15-17)32-28(36)21-10-7-19(16-22(21)37-2)24-25-26(29)31-13-14-34(25)27(33-24)18-5-8-20(35)9-6-18/h7,10-16,18,20,35H,3-6,8-9H2,1-2H3,(H2,29,31)(H,30,32,36)/t18-,20-
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