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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 = 'BDBM359858'   
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))
BDBM359858
PNG
(US9822120, Compound 12)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)cn1
Show InChI InChI=1S/C28H25FN6O3/c1-17-32-12-18(13-33-17)14-37-22-9-20(29)10-23(11-22)38-21-5-3-19(4-6-21)24-25-26(30)31-7-8-35(25)27(34-24)28(2)15-36-16-28/h3-13H,14-16H2,1-2H3,(H2,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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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))
BDBM359858
PNG
(US9822120, Compound 12)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)cn1
Show InChI InChI=1S/C28H25FN6O3/c1-17-32-12-18(13-33-17)14-37-22-9-20(29)10-23(11-22)38-21-5-3-19(4-6-21)24-25-26(30)31-7-8-35(25)27(34-24)28(2)15-36-16-28/h3-13H,14-16H2,1-2H3,(H2,30,31)
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