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PubMed code 18834110

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274024
PNG
(3-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES Oc1ccccc1NC(=O)CCN1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H15BrN2O3S2/c20-13-5-3-4-12(10-13)11-16-18(25)22(19(26)27-16)9-8-17(24)21-14-6-1-2-7-15(14)23/h1-7,10-11,23H,8-9H2,(H,21,24)/b16-11-
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n/an/a 5.40E+3n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274221
PNG
(5-amino-3-(1-cyano-2-(5-(3-nitrophenyl)furan-2-yl)...)
Show SMILES Nc1[nH]nc(C(=Cc2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C#N)c1C#N |w:6.6|
Show InChI InChI=1S/C17H10N6O3/c18-8-11(16-14(9-19)17(20)22-21-16)7-13-4-5-15(26-13)10-2-1-3-12(6-10)23(24)25/h1-7H,(H3,20,21,22)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274022
PNG
(3-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES Oc1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C19H15BrN2O3S2/c20-13-4-1-3-12(9-13)10-16-18(25)22(19(26)27-16)8-7-17(24)21-14-5-2-6-15(23)11-14/h1-6,9-11,23H,7-8H2,(H,21,24)/b16-10-
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n/an/a 9.00E+4n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274025
PNG
(4-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES Oc1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C20H17BrN2O3S2/c21-14-5-1-4-13(10-14)11-17-19(26)23(20(27)28-17)9-3-8-18(25)22-15-6-2-7-16(24)12-15/h1-2,4-7,10-12,24H,3,8-9H2,(H,22,25)/b17-11-
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n/an/a 1.50E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274184
PNG
(2-(3-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazol...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCN1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C20H15BrN2O4S2/c21-13-5-3-4-12(10-13)11-16-18(25)23(20(28)29-16)9-8-17(24)22-15-7-2-1-6-14(15)19(26)27/h1-7,10-11H,8-9H2,(H,22,24)(H,26,27)/b16-11-
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n/an/a 2.00E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274781
PNG
(3-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazoli...)
Show SMILES COc1ccccc1\C=C1/SC(=S)N(CCC(=O)Nc2cccc(O)c2)C1=O
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-8-3-2-5-13(16)11-17-19(25)22(20(27)28-17)10-9-18(24)21-14-6-4-7-15(23)12-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-11-
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n/an/a 2.00E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274023
PNG
(3-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES Oc1ccc(NC(=O)CCN2C(=S)S\C(=C/c3cccc(Br)c3)C2=O)cc1
Show InChI InChI=1S/C19H15BrN2O3S2/c20-13-3-1-2-12(10-13)11-16-18(25)22(19(26)27-16)9-8-17(24)21-14-4-6-15(23)7-5-14/h1-7,10-11,23H,8-9H2,(H,21,24)/b16-11-
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n/an/a 3.00E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274220
PNG
(5-amino-3-(1-cyano-2-(5-(2-nitrophenyl)furan-2-yl)...)
Show SMILES Nc1c(C#N)c(nn1-c1ccccc1)C(=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O)\C#N
Show InChI InChI=1S/C23H14N6O3/c24-13-15(22-19(14-25)23(26)28(27-22)16-6-2-1-3-7-16)12-17-10-11-21(32-17)18-8-4-5-9-20(18)29(30)31/h1-12H,26H2/b15-12+
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n/an/a 3.00E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274222
PNG
(5-amino-3-(2-(5-(3-chlorophenyl)furan-2-yl)-1-cyan...)
Show SMILES Nc1c(C#N)c(nn1-c1ccccc1)C(=C\c1ccc(o1)-c1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C23H14ClN5O/c24-17-6-4-5-15(11-17)21-10-9-19(30-21)12-16(13-25)22-20(14-26)23(27)29(28-22)18-7-2-1-3-8-18/h1-12H,27H2/b16-12+
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n/an/a 5.00E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50274780
PNG
(4-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES Oc1ccccc1NC(=O)CCCN1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C20H17BrN2O3S2/c21-14-6-3-5-13(11-14)12-17-19(26)23(20(27)28-17)10-4-9-18(25)22-15-7-1-2-8-16(15)24/h1-3,5-8,11-12,24H,4,9-10H2,(H,22,25)/b17-12-
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n/an/a 5.00E+5n/an/an/an/an/an/a



Istituto di Genetica Molecolare

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP


J Med Chem 51: 6635-8 (2008)


Article DOI: 10.1021/jm8008844
BindingDB Entry DOI: 10.7270/Q2XD11J3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%