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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 = 'BDBM350324'   
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))
BDBM350324
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)isoquin...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C18H16N6O2/c1-2-15(25)24-8-7-12(10-24)19-16-13-6-4-3-5-11(13)9-14(20-16)17-21-18(26)23-22-17/h2-6,9,12H,1,7-8,10H2,(H,19,20)/t12-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a<2.51n/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))
BDBM350324
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)isoquin...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C18H16N6O2/c1-2-15(25)24-8-7-12(10-24)19-16-13-6-4-3-5-11(13)9-14(20-16)17-21-18(26)23-22-17/h2-6,9,12H,1,7-8,10H2,(H,19,20)/t12-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<2.51n/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