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BDBM545578 US11286268, Compound 1069

SMILES: CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3c(C)nc(N)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1

InChI Key: InChIKey=JERNCBCPAGRWSN-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 545578   
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))
BDBM545578
PNG
(US11286268, Compound 1069)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3c(C)nc(N)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
Show InChI InChI=1S/C28H23ClN6O4S/c1-4-16-10-18(25-24(34-16)20(12-40-25)28(37)38)17-9-15(29)5-6-21(17)39-8-7-35-14(3)33-23-13(2)32-26(31)19(11-30)22(23)27(35)36/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,31,32)(H,37,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1.52n/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