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BDBM267837 4-[8-amino-5-(methoxymethyl)-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]piperidin-3-yl}imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide::US9718828, Example, 450

SMILES: COCc1cnc(N)c2c(nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=LNZTXPWTQUOCSC-GHTZIAJQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267837   
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))
BDBM267837
PNG
(4-[8-amino-5-(methoxymethyl)-3-{(3R)-1-[(3-methylo...)
Show SMILES COCc1cnc(N)c2c(nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C32H34F3N7O4/c1-18-4-5-21(14-41(18)30(44)31(2)16-46-17-31)28-40-25(26-27(36)38-13-23(15-45-3)42(26)28)19-6-8-20(9-7-19)29(43)39-24-12-22(10-11-37-24)32(33,34)35/h6-13,18,21H,4-5,14-17H2,1-3H3,(H2,36,38)(H,37,39,43)/t18-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

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 US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair