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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 = 'BDBM267836'   
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))		BDBM267836
PNG
(4-(8-amino-5-chloro-3-{(3R)-1-[(3-methyloxetan-3-y...)
Show SMILES COCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)40-11-3-4-20(14-40)27-39-24(25-26(35)37-13-22(15-44-2)41(25)27)18-5-7-19(8-6-18)28(42)38-23-12-21(9-10-36-23)31(32,33)34/h5-10,12-13,20H,3-4,11,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-/m1/s1
PDB
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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