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BDBM545153 US11286268, Compound 639::US11286268, Compound 896

SMILES: CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(CN(C)C)c(OC(F)F)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1

InChI Key: InChIKey=WJRHLNLOZIVRPG-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 = 545153   
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))
BDBM545153
PNG
(US11286268, Compound 639 | US11286268, Compound 89...)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(CN(C)C)c(OC(F)F)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
Show InChI InChI=1S/C32H28ClF2N5O5S/c1-5-19-12-21(29-27(38-19)23(15-46-29)31(42)43)20-11-18(33)6-7-25(20)44-9-8-40-16(2)37-24-10-17(14-39(3)4)28(45-32(34)35)22(13-36)26(24)30(40)41/h6-7,10-12,15,32H,5,8-9,14H2,1-4H3,(H,42,43)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1.57n/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))
BDBM545153
PNG
(US11286268, Compound 639 | US11286268, Compound 89...)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(CN(C)C)c(OC(F)F)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
Show InChI InChI=1S/C32H28ClF2N5O5S/c1-5-19-12-21(29-27(38-19)23(15-46-29)31(42)43)20-11-18(33)6-7-25(20)44-9-8-40-16(2)37-24-10-17(14-39(3)4)28(45-32(34)35)22(13-36)26(24)30(40)41/h6-7,10-12,15,32H,5,8-9,14H2,1-4H3,(H,42,43)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1.57n/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