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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 = 'BDBM485278'   
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))
BDBM485278
PNG
(5-(*S)-(2-Methyl-4-phenoxyphenyl)-N-((1R,2R)-2-(2-...)
Show SMILES CNCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:10.11,(11.27,-5.21,;9.79,-5.6,;8.7,-4.52,;7.21,-4.91,;6.81,-6.4,;6.12,-3.82,;6.52,-2.34,;7.98,-1.86,;7.98,-.32,;6.52,.15,;5.61,-1.09,;4.07,-1.09,;3.3,.24,;4.07,1.58,;1.76,.24,;.86,-1,;-.61,-.53,;-1.94,-1.3,;-3.27,-.53,;-3.27,1.01,;-1.94,1.78,;-1.94,3.32,;-3.27,4.09,;-4.61,3.32,;-5.94,4.09,;-5.94,5.63,;-7.27,6.4,;-8.61,5.63,;-9.94,6.4,;-11.27,5.63,;-11.27,4.09,;-9.94,3.32,;-8.61,4.09,;-4.61,6.4,;-3.27,5.63,;-1.94,6.4,;-.61,4.09,;-.61,5.63,;.73,3.32,;.73,1.78,;-.61,1.01,)|
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 9.12n/an/an/an/an/an/a


TBA

Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2F55
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485278
PNG
(5-(*S)-(2-Methyl-4-phenoxyphenyl)-N-((1R,2R)-2-(2-...)
Show SMILES CNCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:10.11,(11.27,-5.21,;9.79,-5.6,;8.7,-4.52,;7.21,-4.91,;6.81,-6.4,;6.12,-3.82,;6.52,-2.34,;7.98,-1.86,;7.98,-.32,;6.52,.15,;5.61,-1.09,;4.07,-1.09,;3.3,.24,;4.07,1.58,;1.76,.24,;.86,-1,;-.61,-.53,;-1.94,-1.3,;-3.27,-.53,;-3.27,1.01,;-1.94,1.78,;-1.94,3.32,;-3.27,4.09,;-4.61,3.32,;-5.94,4.09,;-5.94,5.63,;-7.27,6.4,;-8.61,5.63,;-9.94,6.4,;-11.27,5.63,;-11.27,4.09,;-9.94,3.32,;-8.61,4.09,;-4.61,6.4,;-3.27,5.63,;-1.94,6.4,;-.61,4.09,;-.61,5.63,;.73,3.32,;.73,1.78,;-.61,1.01,)|
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 9.12n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair