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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'madan' and Initial = 'd'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350715
PNG
(CHEMBL1818146)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(F)P(O)([O-])=O
Show InChI InChI=1S/C21H35FNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)23-19-16-14-18(15-17-19)21(22)28(25,26)27/h14-17,21H,2-13H2,1H3,(H,23,24)(H2,25,26,27)/p-1
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6.10n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350716
PNG
(CHEMBL1818147)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(Br)P(O)([O-])=O
Show InChI InChI=1S/C21H35BrNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)23-19-16-14-18(15-17-19)21(22)28(25,26)27/h14-17,21H,2-13H2,1H3,(H,23,24)(H2,25,26,27)/p-1
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8.10n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350713
PNG
(CHEMBL1818144)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1
Show InChI InChI=1S/C21H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26)/p-1
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9n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350717
PNG
(CHEMBL1818148)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1
Show InChI InChI=1S/C17H28NO4P/c1-2-3-4-5-6-7-8-9-17(19)18-16-12-10-15(11-13-16)14-23(20,21)22/h10-13H,2-9,14H2,1H3,(H,18,19)(H2,20,21,22)/p-1
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18n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350714
PNG
(CHEMBL1818145)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)P(O)(O)[O-]
Show InChI InChI=1S/C21H35NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(23)22-19-16-14-18(15-17-19)21(24)28(25,26)27/h14-17,25-26,28H,2-13H2,1H3,(H,22,23)/q-1
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24n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350721
PNG
(CHEMBL1818149)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)P(O)(O)[O-]
Show InChI InChI=1S/C17H27NO5P/c1-2-3-4-5-6-7-8-9-16(19)18-15-12-10-14(11-13-15)17(20)24(21,22)23/h10-13,21-22,24H,2-9H2,1H3,(H,18,19)/q-1
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24n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350718
PNG
(CHEMBL1818150)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)C(F)P(O)([O-])=O
Show InChI InChI=1S/C17H27FNO4P/c1-2-3-4-5-6-7-8-9-16(20)19-15-12-10-14(11-13-15)17(18)24(21,22)23/h10-13,17H,2-9H2,1H3,(H,19,20)(H2,21,22,23)/p-1
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72n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350719
PNG
(CHEMBL1818151)
Show SMILES CCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1
Show InChI InChI=1S/C14H22NO4P/c1-2-3-4-5-6-14(16)15-13-9-7-12(8-10-13)11-20(17,18)19/h7-10H,2-6,11H2,1H3,(H,15,16)(H2,17,18,19)/p-1
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512n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350720
PNG
(CHEMBL1818153)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)C(F)P(O)([O-])=O
Show InChI InChI=1S/C14H21FNO4P/c1-2-3-4-5-6-13(17)16-12-9-7-11(8-10-12)14(15)21(18,19)20/h7-10,14H,2-6H2,1H3,(H,16,17)(H2,18,19,20)/p-1
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834n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350722
PNG
(CHEMBL1818152)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)C(=O)P(O)(O)[O-]
Show InChI InChI=1S/C14H21NO5P/c1-2-3-4-5-6-13(16)15-12-9-7-11(8-10-12)14(17)21(18,19)20/h7-10,18-19,21H,2-6H2,1H3,(H,15,16)/q-1
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1.01E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50110402
PNG
(CHEMBL3605581)
Show SMILES [Cl-].CCCCCCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C20H42NO2S/c1-6-7-8-9-10-11-12-13-14-15-17-20(2)24(22,23)19-16-18-21(3,4)5/h2,6-19H2,1,3-5H3/q+1
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1.79E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay


Bioorg Med Chem 23: 5999-6013 (2015)


Article DOI: 10.1016/j.bmc.2015.06.054
BindingDB Entry DOI: 10.7270/Q2K9399W
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50110424
PNG
(CHEMBL3605579)
Show SMILES [Cl-].CCCCCCCC\C=C/CCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C26H52NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(2)30(28,29)25-22-24-27(3,4)5/h13-14H,2,6-12,15-25H2,1,3-5H3/q+1/b14-13-
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2.43E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay


Bioorg Med Chem 23: 5999-6013 (2015)


Article DOI: 10.1016/j.bmc.2015.06.054
BindingDB Entry DOI: 10.7270/Q2K9399W
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50110403
PNG
(CHEMBL3605580)
Show SMILES [Cl-].CCCCCCCCCCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C24H50NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)28(26,27)23-20-22-25(3,4)5/h2,6-23H2,1,3-5H3/q+1
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3.50E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay


Bioorg Med Chem 23: 5999-6013 (2015)


Article DOI: 10.1016/j.bmc.2015.06.054
BindingDB Entry DOI: 10.7270/Q2K9399W
More data for this
Ligand-Target Pair