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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 = 'BDBM350348'   
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))
BDBM350348
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)-5-methyl...)
Show SMILES Cc1ccc(nc1O[C@H]1CCN(C1)C(=O)C=C)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C15H15N5O3/c1-3-12(21)20-7-6-10(8-20)23-14-9(2)4-5-11(16-14)13-17-15(22)19-18-13/h3-5,10H,1,6-8H2,2H3/t10-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.01n/an/an/an/an/an/a



CNRS



Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


Bioorg Med Chem Lett 19: 1600-3 (2009)


BindingDB Entry DOI: 10.7270/Q2TQ63WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350348
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)-5-methyl...)
Show SMILES Cc1ccc(nc1O[C@H]1CCN(C1)C(=O)C=C)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C15H15N5O3/c1-3-12(21)20-7-6-10(8-20)23-14-9(2)4-5-11(16-14)13-17-15(22)19-18-13/h3-5,10H,1,6-8H2,2H3/t10-/m0/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/a 5.01n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair