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BDBM546215 US11286268, Compound 1776

SMILES: CCN(C1CCN(CC1)[C@@H]1C[C@@H](C1)OC(F)(F)F)c1ncc2nc(C)n(CC#Cc3ccc(Cl)cc3-c3ccnc4c(csc34)C(=O)NS(C)(=O)=O)c(=O)c2c1C#N

InChI Key: InChIKey=LMVZXNAEDBRGHP-MKPDMIMOSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 546215   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM546215
PNG
(US11286268, Compound 1776)
Show SMILES CCN(C1CCN(CC1)[C@@H]1C[C@@H](C1)OC(F)(F)F)c1ncc2nc(C)n(CC#Cc3ccc(Cl)cc3-c3ccnc4c(csc34)C(=O)NS(C)(=O)=O)c(=O)c2c1C#N
Show InChI InChI=1S/C39H36ClF3N8O5S2/c1-4-50(25-10-14-49(15-11-25)26-17-27(18-26)56-39(41,42)43)36-30(19-44)33-32(20-46-36)47-22(2)51(38(33)53)13-5-6-23-7-8-24(40)16-29(23)28-9-12-45-34-31(21-57-35(28)34)37(52)48-58(3,54)55/h7-9,12,16,20-21,25-27H,4,10-11,13-15,17-18H2,1-3H3,(H,48,52)/t26-,27+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 3.65n/an/an/an/an/an/a



eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...


US Patent US11286268 (2022)

More data for this
Ligand-Target Pair