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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic initiation factor 4A-I' and Ligand = 'BDBM50235738'   
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))
BDBM50235738
PNG
(Hippuristanol)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]1(C[C@H](C)C(C)(C)O1)O2 |r|
Show InChI InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
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n/an/a 204n/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))
BDBM50235738
PNG
(Hippuristanol)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]1(C[C@H](C)C(C)(C)O1)O2 |r|
Show InChI InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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n/an/a 210n/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))
BDBM50235738
PNG
(Hippuristanol)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]1(C[C@H](C)C(C)(C)O1)O2 |r|
Show InChI InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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n/an/a 369n/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))
BDBM50235738
PNG
(Hippuristanol)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]1(C[C@H](C)C(C)(C)O1)O2 |r|
Show InChI InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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n/an/a 400n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of eIF4A-mediated cap-dependent protein synthesis in FF-HCV-Ren mRNA transfected Swiss mouse Krebs2 cell extract by [35S]methionine metabo...


Nat Chem Biol 2: 213-20 (2006)


Article DOI: 10.1038/nchembio776
BindingDB Entry DOI: 10.7270/Q2F47RZB
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50235738
PNG
(Hippuristanol)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]1(C[C@H](C)C(C)(C)O1)O2 |r|
Show InChI InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 426n/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))
BDBM50235738
PNG
(Hippuristanol)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]1(C[C@H](C)C(C)(C)O1)O2 |r|
Show InChI InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a 3.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem 25: 2200-2209 (2017)


Article DOI: 10.1016/j.bmc.2017.02.035
BindingDB Entry DOI: 10.7270/Q2902613
More data for this
Ligand-Target Pair