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BDBM267889 4-{8-amino-5-chloro-3-[(2R)-morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide::US9718828, Example, 505

SMILES: CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12

InChI Key: InChIKey=OEZOQUNDNHZFPI-GOSISDBHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267889   
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))
BDBM267889
PNG
(4-{8-amino-5-chloro-3-[(2R)-morpholin-2-yl]imidazo...)
Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12
Show InChI InChI=1S/C28H25ClF3N7O4/c1-27(13-42-14-27)26(41)38-8-9-43-18(12-38)24-37-21(22-23(33)35-11-19(29)39(22)24)15-2-4-16(5-3-15)25(40)36-20-10-17(6-7-34-20)28(30,31)32/h2-7,10-11,18H,8-9,12-14H2,1H3,(H2,33,35)(H,34,36,40)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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 US9718828 (2017)


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