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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM351826'   
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))
BDBM351826
PNG
(US9796716, Compound 71 | US9796716, Compound 75)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H26FN7O3/c1-34-16-30-13-20(34)14-37-22-10-18(28)11-23(12-22)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(33-25)19-6-8-36-9-7-19/h2-5,10-13,15-16,19H,6-9,14H2,1H3,(H2,29,31,32)
PDB
MMDB

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PC cid
PC sid
UniChem
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 US9796716 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM351826
PNG
(US9796716, Compound 71 | US9796716, Compound 75)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H26FN7O3/c1-34-16-30-13-20(34)14-37-22-10-18(28)11-23(12-22)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(33-25)19-6-8-36-9-7-19/h2-5,10-13,15-16,19H,6-9,14H2,1H3,(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 US9796716 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
More data for this
Ligand-Target Pair