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Compile Data Set for Download or QSAR

Found 3 hits from Boston University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eukaryotic initiation factor 4A-I


(Homo sapiens)
BDBM50388144
PNG
(CHEMBL2058177)
Show SMILES CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC
Show InChI InChI=1S/C28H29NO8/c1-33-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(31)29-36-4)25(30)27(28,32)24-20(35-3)14-19(34-2)15-21(24)37-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1
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Article
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n/an/a 0.5n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of eIF4A1-mediated protein synthesis in human BJAB cells assessed as inhibition of [35S]Met incorporation after 72 hr by scintillation cou...


J Med Chem 55: 558-62 (2012)


Article DOI: 10.1021/jm201263k
BindingDB Entry DOI: 10.7270/Q2MS3TTZ
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens)
BDBM50388144
PNG
(CHEMBL2058177)
Show SMILES CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC
Show InChI InChI=1S/C28H29NO8/c1-33-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(31)29-36-4)25(30)27(28,32)24-20(35-3)14-19(34-2)15-21(24)37-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of eIF4A1-mediated protein synthesis in human BJAB cells assessed as inhibition of [35S]Met incorporation after 1 hr by scintillation coun...


J Med Chem 55: 558-62 (2012)


Article DOI: 10.1021/jm201263k
BindingDB Entry DOI: 10.7270/Q2MS3TTZ
More data for this
Ligand-Target Pair
Cell division control protein 28


(Saccharomyces cerevisiae)
BDBM50129555
PNG
((1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cy...)
Show SMILES C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N
Show InChI InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1
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PC cid
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Article
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n/an/a 2.40E+4n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of cyclin-dependent kinase activity of Cdc28p/CDK2p in S. cerevisiae


Bioorg Med Chem Lett 13: 2235-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00406-2
BindingDB Entry DOI: 10.7270/Q20Z72N8
More data for this
Ligand-Target Pair