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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic initiation factor 4A-I' and Ligand = 'BDBM50080528'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r|
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
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Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Inception Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...


J Med Chem 63: 5879-5955 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00182
BindingDB Entry DOI: 10.7270/Q2MC93K8
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r|
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 101n/an/an/an/an/an/a



Inception Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...


J Med Chem 63: 5879-5955 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00182
BindingDB Entry DOI: 10.7270/Q2MC93K8
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r|
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
PDB
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CHEMBL
KEGG
PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Inception Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...


J Med Chem 63: 5879-5955 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00182
BindingDB Entry DOI: 10.7270/Q2MC93K8
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r|
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Inception Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...


J Med Chem 63: 5879-5955 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00182
BindingDB Entry DOI: 10.7270/Q2MC93K8
More data for this
Ligand-Target Pair