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BDBM362352 4-{7- [(methoxyacetyl)amino]-3-[(2R)-4- (methoxyacetyl)morpholin-2-yl]-1H- pyrazolo[3,4-c]pyridin-1-yl}-N-[4- (trifluoromethyl)pyridin-2-yl]benzamide::US9834554, Example 4

SMILES: COCC(=O)Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)COC

InChI Key: InChIKey=YUZXOSLTEMDNLO-RNZRUAGMNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362352   
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))
BDBM362352
PNG
(4-{7- [(methoxyacetyl)amino]-3-[(2R)-4- (methoxyac...)
Show SMILES COCC(=O)Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)COC
Show InChI InChI=1/C29H28F3N7O6/c1-43-15-23(40)36-27-26-20(8-10-34-27)25(21-14-38(11-12-45-21)24(41)16-44-2)37-39(26)19-5-3-17(4-6-19)28(42)35-22-13-18(7-9-33-22)29(30,31)32/h3-10,13,21H,11-12,14-16H2,1-2H3,(H,33,35,42)(H,34,36,40)/t21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
Article
US Patent
n/an/a 46.5n/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 US9834554 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.095
More data for this
Ligand-Target Pair