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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'zhang' and Initial = 'dd'   
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))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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4.27E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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4.79E+3n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610942
PNG
(CHEMBL5267864)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
PDB
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9.59E+3n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610942
PNG
(CHEMBL5267864)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
PDB
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1.03E+4n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Endoplasmic reticulum chaperone BiP


(Homo sapiens (Human))
BDBM32378
PNG
(adenosine-derived inhibitor (Grp78), 13 | adenosin...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
Show InChI InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...


Bioorg Med Chem Lett 29: 1689-1693 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.041
BindingDB Entry DOI: 10.7270/Q23F4T1X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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n/an/a 6.58E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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n/an/a 8.60E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610981
PNG
(CHEMBL5275207)
Show SMILES CCCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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n/an/a 8.77E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Endoplasmic reticulum chaperone BiP


(Homo sapiens (Human))
BDBM31712
PNG
(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...


Bioorg Med Chem Lett 29: 1689-1693 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.041
BindingDB Entry DOI: 10.7270/Q23F4T1X
More data for this
Ligand-Target Pair
Endoplasmic reticulum chaperone BiP


(Homo sapiens (Human))
BDBM31712
PNG
(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...


Bioorg Med Chem Lett 29: 1689-1693 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.041
BindingDB Entry DOI: 10.7270/Q23F4T1X
More data for this
Ligand-Target Pair
Endoplasmic reticulum chaperone BiP


(Homo sapiens (Human))
BDBM31712
PNG
(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...


Bioorg Med Chem Lett 29: 1689-1693 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.041
BindingDB Entry DOI: 10.7270/Q23F4T1X
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610993
PNG
(CHEMBL5285027)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(o1)-c1ccc(Oc2ccccc2)cc1
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n/an/a 1.27E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610995
PNG
(CHEMBL5283331)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(o1)-c1ccccc1Oc1ccccc1
PDB
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n/an/a 2.10E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610950
PNG
(CHEMBL5277447)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2ccc(Cl)cc2n1
PDB
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n/an/a 2.17E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610994
PNG
(CHEMBL5286197)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(o1)-c1cccc(Oc2ccccc2)c1
PDB
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n/an/a 2.22E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610953
PNG
(CHEMBL5271469)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cccc(Br)c2n1
PDB
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n/an/a 2.38E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610992
PNG
(CHEMBL5270689)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(o1)-c1cccc(c1)-c1ccccc1
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n/an/a 2.58E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610942
PNG
(CHEMBL5267864)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
PDB
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n/an/a 2.66E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610968
PNG
(CHEMBL5278017)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cccc(c2n1)C(F)(F)F
PDB
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n/an/a 2.69E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610942
PNG
(CHEMBL5267864)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
PDB
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n/an/a 2.87E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610951
PNG
(CHEMBL5270826)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2ccc(Br)cc2n1
PDB
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n/an/a 3.30E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610990
PNG
(CHEMBL5278278)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(o1)-c1cccc2ccccc12
PDB
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n/an/a 3.67E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610980
PNG
(CHEMBL5288236)
Show SMILES CCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
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n/an/a 4.09E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610948
PNG
(CHEMBL5269672)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(I)ccc2n1
PDB
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n/an/a 4.15E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610947
PNG
(CHEMBL5273891)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(Cl)ccc2n1
PDB
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n/an/a 4.40E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610984
PNG
(CHEMBL5281120)
Show SMILES CCCOc1ccccc1-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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n/an/a 4.55E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610982
PNG
(CHEMBL5275434)
Show SMILES CCCOc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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n/an/a 4.57E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610949
PNG
(CHEMBL5282106)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2ccc(F)cc2n1
PDB
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n/an/a 4.66E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
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Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610956
PNG
(CHEMBL5291302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(F)cc(F)c2n1
PDB
MMDB

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n/an/a 5.21E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610962
PNG
(CHEMBL5282161)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(OC)ccc2n1
PDB
MMDB

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n/an/a 5.35E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610954
PNG
(CHEMBL5281779)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(F)c(F)cc2n1
PDB
MMDB

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n/an/a 5.40E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610946
PNG
(CHEMBL5286598)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(F)ccc2n1
PDB
MMDB

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n/an/a 5.41E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610977
PNG
(CHEMBL5278064)
Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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n/an/a 5.48E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610969
PNG
(CHEMBL5278302)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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n/an/a 5.83E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610978
PNG
(CHEMBL5274646)
Show SMILES CCCCc1ccc(cc1)-c1ccc(cn1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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PC sid
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n/an/a 6.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610967
PNG
(CHEMBL5274512)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2ccc(cc2n1)C(F)(F)F
PDB
MMDB

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PC sid
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n/an/a 6.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610983
PNG
(CHEMBL5274106)
Show SMILES CCCOc1cccc(c1)-c1ccc(o1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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PC sid
UniChem
n/an/a 6.21E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610972
PNG
(CHEMBL5284445)
Show SMILES CCCCc1ccc(cc1)-c1ccc(s1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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n/an/a 6.23E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610973
PNG
(CHEMBL5291093)
Show SMILES CCCCc1ccc(cc1)-c1ccc([nH]1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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n/an/a 6.25E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610991
PNG
(CHEMBL5286924)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(o1)-c1ccc(cc1)-c1ccccc1
PDB
MMDB

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n/an/a 6.61E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610952
PNG
(CHEMBL5270012)
Show SMILES CCCCc1ccc(cc1)-c1ccc(o1)-c1cc(C(O)=O)c2cccc(Cl)c2n1
PDB
MMDB

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n/an/a 7.34E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610974
PNG
(CHEMBL5274599)
Show SMILES CCCCc1ccc(cc1)-c1cccc(c1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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n/an/a 7.41E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50610975
PNG
(CHEMBL5275373)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1cc(C(O)=O)c2cc(ccc2n1)[N+]([O-])=O
PDB
MMDB

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n/an/a 8.58E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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