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BDBM267718 (R)-4-(8-amino-3-(1-(3-methyloxetane-3-carbonyl)piperidin-3-yl)-5-phenethylimidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide::US9718828, Example, 320

SMILES: COc1cccc(c1)-c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=CQWUFGIUWVDAFE-FQKVKQEKNA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267718   
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
TEC family kinase


(Homo sapiens (Human))
BDBM267718
PNG
((R)-4-(8-amino-3-(1-(3-methyloxetane-3-carbonyl)pi...)
Show SMILES COc1cccc(c1)-c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C36H34F3N7O4/c1-35(19-50-20-35)34(48)45-14-4-6-24(18-45)32-44-29(30-31(40)42-17-27(46(30)32)23-5-3-7-26(15-23)49-2)21-8-10-22(11-9-21)33(47)43-28-16-25(12-13-41-28)36(37,38)39/h3,5,7-13,15-17,24H,4,6,14,18-20H2,1-2H3,(H2,40,42)(H,41,43,47)/t24-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 55n/an/a7.225



Merck Sharp & Dohme Corp

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair