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SMILES: CC(C)[C@@H]1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=HTGPVKQOPXHLNE-FFHGTZDOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350155   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM350155
PNG
((1S,2S,5S)-5-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- ...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C31H33F3N4O3/c1-17(2)23-12-9-19(15-24(23)29(39)40)28-37-25(26-27(35)36-13-14-38(26)28)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(16-21)31(32,33)34/h4-8,10-11,13-14,16-17,19,23-24,41H,9,12,15H2,1-3H3,(H2,35,36)(H,39,40)/t19-,23-,24-,30+/m0/s1
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 28.7n/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