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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic initiation factor 4A-III' and Ligand = 'BDBM65493'   
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-III


(Homo sapiens (Human))
BDBM65493
PNG
(eIF4A3 inhibitor, 2)
Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r|
Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



BC Cancer Agency



Assay Description
Inhibitory activity was assessed under the following conditions: 350 uM ATP/1.5 ug mL−1 RNA indicated by black; 35 uM ATP/1.5 ug mL−1 RNA...


ACS Chem Biol 12: 1760-1768 (2017)


Article DOI: 10.1021/acschembio.7b00041
BindingDB Entry DOI: 10.7270/Q2T151TG
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-III


(Homo sapiens (Human))
BDBM65493
PNG
(eIF4A3 inhibitor, 2)
Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r|
Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...


ACS Med Chem Lett 8: 1077-1082 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00283
BindingDB Entry DOI: 10.7270/Q2QJ7KT3
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-III


(Homo sapiens (Human))
BDBM65493
PNG
(eIF4A3 inhibitor, 2)
Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r|
Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of MLN51-induced full-length human recombinant His6-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) us...


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-III


(Homo sapiens (Human))
BDBM65493
PNG
(eIF4A3 inhibitor, 2)
Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r|
Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 57n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to full-length human recombinant His6-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) by surface plasmon resonance assay


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair