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BDBM544980 US11286268, Compound 465::US11286268, Compound 937

SMILES: Cc1cc(cc(C)n1)-c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N)C(F)(F)F

InChI Key: InChIKey=VARWAJHYXYIYCU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 544980   
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))
BDBM544980
PNG
(US11286268, Compound 465 | US11286268, Compound 93...)
Show SMILES Cc1cc(cc(C)n1)-c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N)C(F)(F)F
Show InChI InChI=1S/C35H25ClF3N5O4S/c1-16-9-20(10-17(2)41-16)29-24(14-40)30-27(13-26(29)35(37,38)39)43-19(4)44(33(30)45)7-8-48-28-6-5-21(36)12-22(28)23-11-18(3)42-31-25(34(46)47)15-49-32(23)31/h5-6,9-13,15H,7-8H2,1-4H3,(H,46,47)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1.36n/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
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM544980
PNG
(US11286268, Compound 465 | US11286268, Compound 93...)
Show SMILES Cc1cc(cc(C)n1)-c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N)C(F)(F)F
Show InChI InChI=1S/C35H25ClF3N5O4S/c1-16-9-20(10-17(2)41-16)29-24(14-40)30-27(13-26(29)35(37,38)39)43-19(4)44(33(30)45)7-8-48-28-6-5-21(36)12-22(28)23-11-18(3)42-31-25(34(46)47)15-49-32(23)31/h5-6,9-13,15H,7-8H2,1-4H3,(H,46,47)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 15.1n/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