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BDBM350139 1-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3- yl]cyclopropanecarboxylic acid::US10208047, Example 7

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=MUVZSHWSEKBKMG-HSZRJFAPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350139   
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))		BDBM350139
PNG
(1-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F3N4O3/c1-23(35,16-3-2-4-17(13-16)25(26,27)28)15-7-5-14(6-8-15)18-19-20(29)30-11-12-32(19)21(31-18)24(9-10-24)22(33)34/h2-8,11-13,35H,9-10H2,1H3,(H2,29,30)(H,33,34)/t23-/m1/s1
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PC cid
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US Patent
n/an/a 614n/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