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BDBM350141 5-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3- yl]bicyclo[3.2.2]nonane-1- carboxylic acid::US10208047, Example 9

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CCC2)C(O)=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=AVIZEELGPHTKGW-AYMNYOFFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350141   
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))
BDBM350141
PNG
(5-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CCC2)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F3N4O3/c1-28(41,21-4-2-5-22(18-21)31(32,33)34)20-8-6-19(7-9-20)23-24-25(35)36-16-17-38(24)26(37-23)29-10-3-11-30(14-12-29,15-13-29)27(39)40/h2,4-9,16-18,41H,3,10-15H2,1H3,(H2,35,36)(H,39,40)/t28-,29?,30?/m1/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2M32XWT
More data for this
Ligand-Target Pair