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BDBM350147 (1R,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3-yl]-1-(1- methylethyl)cyclohexane- carboxylic acid::US10208047, Example 15

SMILES: CC(C)[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O

InChI Key: InChIKey=AAPXQEUSUAUPKI-MEPYBHFYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350147   
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))
BDBM350147
PNG
((1R,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...)
Show SMILES CC(C)[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O
Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)30(28(39)40)13-5-6-20(17-30)27-37-24(25-26(35)36-14-15-38(25)27)19-9-11-21(12-10-19)29(3,41)22-7-4-8-23(16-22)31(32,33)34/h4,7-12,14-16,18,20,41H,5-6,13,17H2,1-3H3,(H2,35,36)(H,39,40)/t20-,29-,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 104n/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