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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 = 'BDBM359869'   
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))
BDBM359869
PNG
(US9822120, Compound 24)
Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C31H30FN7O3/c1-19-35-15-21(16-36-19)18-41-26-12-24(32)13-27(14-26)42-25-7-5-22(6-8-25)28-29-30(33)34-9-11-39(29)31(37-28)23-4-3-10-38(17-23)20(2)40/h5-9,11-16,23H,3-4,10,17-18H2,1-2H3,(H2,33,34)/t23-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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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
Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...


US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM359869
PNG
(US9822120, Compound 24)
Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C31H30FN7O3/c1-19-35-15-21(16-36-19)18-41-26-12-24(32)13-27(14-26)42-25-7-5-22(6-8-25)28-29-30(33)34-9-11-39(29)31(37-28)23-4-3-10-38(17-23)20(2)40/h5-9,11-16,23H,3-4,10,17-18H2,1-2H3,(H2,33,34)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/an/an/a



Pharmascience Inc.

US Patent


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


US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair