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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 = 'BDBM359871'   
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))
BDBM359871
PNG
(US9822120, Compound 26)
Show SMILES CC(=O)N1CC(C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C29H26FN7O3/c1-17-33-12-19(13-34-17)16-39-24-9-22(30)10-25(11-24)40-23-5-3-20(4-6-23)26-27-28(31)32-7-8-37(27)29(35-26)21-14-36(15-21)18(2)38/h3-13,21H,14-16H2,1-2H3,(H2,31,32)
PDB
MMDB

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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
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))
BDBM359871
PNG
(US9822120, Compound 26)
Show SMILES CC(=O)N1CC(C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C29H26FN7O3/c1-17-33-12-19(13-34-17)16-39-24-9-22(30)10-25(11-24)40-23-5-3-20(4-6-23)26-27-28(31)32-7-8-37(27)29(35-26)21-14-36(15-21)18(2)38/h3-13,21H,14-16H2,1-2H3,(H2,31,32)
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