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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 = 'BDBM350879'   
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))
BDBM350879
PNG
(US9795608, Compound 9)
Show SMILES CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H23FN6O2S/c1-14(2)22-23-24(25(27)30-13-29-23)32(31-22)17-4-6-18(7-5-17)34-20-9-16(26)8-19(10-20)33-12-21-11-28-15(3)35-21/h4-11,13-14H,12H2,1-3H3,(H2,27,29,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9795608 (2017)


BindingDB Entry DOI: 10.7270/Q29K4DCP
More data for this
Ligand-Target Pair