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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 = 'BDBM350166'   
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))		BDBM350166
PNG
((1S,3R)-3-[8-amino-1-(4- {(1R)-1-[3- (difluorometh...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F |r|
Show InChI InChI=1S/C30H31F3N4O3/c1-28(2)20(12-13-29(28,3)27(38)39)26-36-22(23-25(34)35-15-21(31)37(23)26)16-8-10-18(11-9-16)30(4,40)19-7-5-6-17(14-19)24(32)33/h5-11,14-15,20,24,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t20-,29+,30+/m0/s1
PDB
MMDB

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US Patent
n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)


BindingDB Entry DOI: 10.7270/Q2M32XWT
More data for this
Ligand-Target Pair