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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 = 'BDBM368451'   
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))
BDBM368451
PNG
(1-(tert-butyl)-N-((5R)-8- (2-((1-methyl-1H- pyrazo...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CCOC2)NC(=O)C2=NC(N=N2)C(C)(C)C)cn1 |r,c:37,t:34|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)27-35-25(36-37-27)26(40)33-24-8-11-39(21-9-12-41-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-38(4)16-20/h5-7,10,13-14,16,21,24,27H,8-9,11-12,15,17H2,1-4H3,(H,33,40)(H,30,32,34)/t21?,24-,27?/m1/s1
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n/an/a 505n/an/an/an/an/an/a



Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair