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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 = 'BDBM259425'   
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))
BDBM259425
PNG
(US9512084, 24)
Show SMILES Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r|
Show InChI InChI=1/C31H32FN5O4/c1-2-27(39)36-10-3-4-22(36)16-41-29-28(34-17-35-30(29)33)24-13-21(32)14-26(25(24)15-38)37-11-9-20-12-19(18-5-6-18)7-8-23(20)31(37)40/h2,7-8,12-14,17-18,22,38H,1,3-6,9-11,15-16H2,(H2,33,34,35)/t22-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...


US Patent US9512084 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FMH
More data for this
Ligand-Target Pair