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SMILES: CCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12

InChI Key: InChIKey=ZRLYMQQPMICQLO-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362367   
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))		BDBM362367
PNG
(4-{7-amino-3-[(3R)-1- propanoylpiperidin-3-yl]- 1H...)
Show SMILES CCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Show InChI InChI=1S/C27H26F3N7O2/c1-2-22(38)36-13-3-4-17(15-36)23-20-10-12-33-25(31)24(20)37(35-23)19-7-5-16(6-8-19)26(39)34-21-14-18(9-11-32-21)27(28,29)30/h5-12,14,17H,2-4,13,15H2,1H3,(H2,31,33)(H,32,34,39)/t17-/m1/s1
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US Patent
n/an/a 0.570n/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 US9834554 (2017)


BindingDB Entry DOI: 10.7270/Q2K64MCV
More data for this
Ligand-Target Pair