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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM143320'   
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))
BDBM143320
PNG
(US8940893, 5)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CCN(C2)C(=O)C=C |(3.23,-2.27,;1.69,-2.27,;.92,-3.61,;-.62,-3.61,;-1.39,-2.27,;-.62,-.94,;-1.1,.53,;.15,1.43,;1.39,.53,;2.72,1.3,;2.72,2.84,;4.06,3.61,;5.39,2.84,;6.73,3.61,;8.06,2.84,;9.39,3.61,;10.73,2.84,;10.73,1.3,;9.39,.53,;8.06,1.3,;5.39,1.3,;4.06,.53,;.92,-.94,;-2.59,.92,;-3.36,2.26,;-4.69,1.49,;-3.92,.15,;-5.6,2.73,;-7.06,2.26,;-7.06,.72,;-5.6,.24,;-8.15,-.37,;-7.75,-1.86,;-9.64,.03,;-10.73,-1.06,)|
Show InChI InChI=1S/C27H26N6O2/c1-2-22(34)32-13-12-27(16-32)14-19(15-27)33-26-23(25(28)29-17-30-26)24(31-33)18-8-10-21(11-9-18)35-20-6-4-3-5-7-20/h2-11,17,19H,1,12-16H2,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...


US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair