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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 = 'BDBM267906'   
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))
BDBM267906
PNG
(4-{8-amino-3-[(2R)-4-(methoxyacetyl)morpholin-2-yl...)
Show SMILES CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Show InChI InChI=1S/C25H23ClF3N7O2/c1-2-35-9-10-38-17(13-35)23-34-20(21-22(30)32-12-18(26)36(21)23)14-3-5-15(6-4-14)24(37)33-19-11-16(7-8-31-19)25(27,28)29/h3-8,11-12,17H,2,9-10,13H2,1H3,(H2,30,32)(H,31,33,37)/t17-/m1/s1
PDB
MMDB

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PC cid
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US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair