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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 302.2
BDBM82820
Purchase
Wt: 241.2
BDBM50379305
Wt: 375.4
BDBM50379306
Purchase
Wt: 242.2
BDBM50379301
Purchase
Wt: 271.2
BDBM50379302
Wt: 374.4
BDBM50379303
Wt: 353.3
BDBM50379304

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 22 hits in this display   
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)
BDBM50379302
PNG
(CHEMBL2011807)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O3/c1-10-5-2-3-8-13(10)16-14(18)15-11-6-4-7-12(9-11)17(19)20/h2-9H,1H3,(H2,15,16,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379305
PNG
(CHEMBL2011808)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(N)c1
Show InChI InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9H,15H2,1H3,(H2,16,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379306
PNG
(CHEMBL2011806)
Show SMILES Cc1[nH]c2ccccc2c1C1=CC(=NN=C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3/c1-18-26(22-14-8-9-15-23(22)27-18)21-16-24(19-10-4-2-5-11-19)28-29-25(17-21)20-12-6-3-7-13-20/h2-16,27H,17H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM82820
PNG
(1,3-bis(3-nitrophenyl)urea | MLS000719904 | N,N...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
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n/an/a 8.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379303
PNG
(CHEMBL2011804)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1
Show InChI InChI=1S/C22H22N4O2/c1-15-8-3-5-12-19(15)25-21(27)23-17-10-7-11-18(14-17)24-22(28)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379302
PNG
(CHEMBL2011807)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O3/c1-10-5-2-3-8-13(10)16-14(18)15-11-6-4-7-12(9-11)17(19)20/h2-9H,1H3,(H2,15,16,18)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379301
PNG
(CHEMBL2011809)
Show SMILES Nc1cccc(NC(=O)Nc2cccc(N)c2)c1
Show InChI InChI=1S/C13H14N4O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,14-15H2,(H2,16,17,18)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379305
PNG
(CHEMBL2011808)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(N)c1
Show InChI InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9H,15H2,1H3,(H2,16,17,18)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379304
PNG
(CHEMBL2011805)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H15N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM82820
PNG
(1,3-bis(3-nitrophenyl)urea | MLS000719904 | N,N...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379303
PNG
(CHEMBL2011804)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1
Show InChI InChI=1S/C22H22N4O2/c1-15-8-3-5-12-19(15)25-21(27)23-17-10-7-11-18(14-17)24-22(28)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM50379306
PNG
(CHEMBL2011806)
Show SMILES Cc1[nH]c2ccccc2c1C1=CC(=NN=C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3/c1-18-26(22-14-8-9-15-23(22)27-18)21-16-24(19-10-4-2-5-11-19)28-29-25(17-21)20-12-6-3-7-13-20/h2-16,27H,17H2,1H3
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM50379301
PNG
(CHEMBL2011809)
Show SMILES Nc1cccc(NC(=O)Nc2cccc(N)c2)c1
Show InChI InChI=1S/C13H14N4O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,14-15H2,(H2,16,17,18)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM82820
PNG
(1,3-bis(3-nitrophenyl)urea | MLS000719904 | N,N...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM50379304
PNG
(CHEMBL2011805)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H15N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM50379303
PNG
(CHEMBL2011804)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1
Show InChI InChI=1S/C22H22N4O2/c1-15-8-3-5-12-19(15)25-21(27)23-17-10-7-11-18(14-17)24-22(28)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM50379302
PNG
(CHEMBL2011807)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O3/c1-10-5-2-3-8-13(10)16-14(18)15-11-6-4-7-12(9-11)17(19)20/h2-9H,1H3,(H2,15,16,18)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens)
BDBM50379305
PNG
(CHEMBL2011808)
Show SMILES Cc1ccccc1NC(=O)Nc1cccc(N)c1
Show InChI InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9H,15H2,1H3,(H2,16,17,18)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379306
PNG
(CHEMBL2011806)
Show SMILES Cc1[nH]c2ccccc2c1C1=CC(=NN=C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3/c1-18-26(22-14-8-9-15-23(22)27-18)21-16-24(19-10-4-2-5-11-19)28-29-25(17-21)20-12-6-3-7-13-20/h2-16,27H,17H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM82820
PNG
(1,3-bis(3-nitrophenyl)urea | MLS000719904 | N,N...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379304
PNG
(CHEMBL2011805)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H15N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens)
BDBM50379301
PNG
(CHEMBL2011809)
Show SMILES Nc1cccc(NC(=O)Nc2cccc(N)c2)c1
Show InChI InChI=1S/C13H14N4O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,14-15H2,(H2,16,17,18)
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MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometr...


Bioorg Med Chem Lett 22: 2094-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.135
BindingDB Entry DOI: 10.7270/Q2930V51
More data for this
Ligand-Target Pair