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PubMed code 19246009

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 RhlE


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM13307
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
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Article
PubMed
n/an/a 0.5n/an/an/an/a7.537



Duke University Medical Center



Assay Description
Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase RhlE


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM31423
PNG
(ethylenediamine scaffold, 4)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H40N8O4S/c1-29(2,3)41-28(38)35-12-10-24(11-13-35)18-37(42(39,40)27-20-33(4)22-32-27)15-14-36(19-26-17-31-21-34(26)5)25-8-6-23(16-30)7-9-25/h6-9,17,20-22,24H,10-15,18-19H2,1-5H3
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Article
PubMed
n/an/a 1.20n/an/an/an/a7.537



Duke University Medical Center



Assay Description
Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase RhlE


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM31424
PNG
(ethylenediamine scaffold, 5)
Show SMILES Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H42N6O4S/c1-25-8-6-7-9-30(25)43(40,41)38(22-27-14-16-36(17-15-27)31(39)42-32(2,3)4)19-18-37(23-29-21-34-24-35(29)5)28-12-10-26(20-33)11-13-28/h6-13,21,24,27H,14-19,22-23H2,1-5H3
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PubMed
n/an/a 3n/an/an/an/a7.537



Duke University Medical Center



Assay Description
Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase RhlE


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM31425
PNG
(ethylenediamine scaffold, 7)
Show SMILES Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C28H29N5O2S/c1-23-8-6-7-11-28(23)36(34,35)33(20-25-9-4-3-5-10-25)17-16-32(21-27-19-30-22-31(27)2)26-14-12-24(18-29)13-15-26/h3-15,19,22H,16-17,20-21H2,1-2H3
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n/an/a 5n/an/an/an/a7.537



Duke University Medical Center



Assay Description
Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13307
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
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n/an/a 56n/an/an/an/a7.730



Duke University Medical Center



Assay Description
In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATP-dependent RNA helicase RhlE


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM31426
PNG
(ethylenediamine scaffold, 10)
Show SMILES Cn1cncc1CN(CCN(CC1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1-c1cccc(CCC(O)=O)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C40H48N6O6S/c1-40(2,3)52-39(49)44-20-18-32(19-21-44)27-46(23-22-45(28-35-26-42-29-43(35)4)34-15-12-31(25-41)13-16-34)53(50,51)37-11-6-5-10-36(37)33-9-7-8-30(24-33)14-17-38(47)48/h5-13,15-16,24,26,29,32H,14,17-23,27-28H2,1-4H3,(H,47,48)
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n/an/a 70n/an/an/an/a7.537



Duke University Medical Center



Assay Description
Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM31425
PNG
(ethylenediamine scaffold, 7)
Show SMILES Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C28H29N5O2S/c1-23-8-6-7-11-28(23)36(34,35)33(20-25-9-4-3-5-10-25)17-16-32(21-27-19-30-22-31(27)2)26-14-12-24(18-29)13-15-26/h3-15,19,22H,16-17,20-21H2,1-2H3
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n/an/a 160n/an/an/an/a7.730



Duke University Medical Center



Assay Description
In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM31426
PNG
(ethylenediamine scaffold, 10)
Show SMILES Cn1cncc1CN(CCN(CC1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1-c1cccc(CCC(O)=O)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C40H48N6O6S/c1-40(2,3)52-39(49)44-20-18-32(19-21-44)27-46(23-22-45(28-35-26-42-29-43(35)4)34-15-12-31(25-41)13-16-34)53(50,51)37-11-6-5-10-36(37)33-9-7-8-30(24-33)14-17-38(47)48/h5-13,15-16,24,26,29,32H,14,17-23,27-28H2,1-4H3,(H,47,48)
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n/an/a 800n/an/an/an/a7.730



Duke University Medical Center



Assay Description
In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM31423
PNG
(ethylenediamine scaffold, 4)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H40N8O4S/c1-29(2,3)41-28(38)35-12-10-24(11-13-35)18-37(42(39,40)27-20-33(4)22-32-27)15-14-36(19-26-17-31-21-34(26)5)25-8-6-23(16-30)7-9-25/h6-9,17,20-22,24H,10-15,18-19H2,1-5H3
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n/an/a 3.70E+3n/an/an/an/a7.730



Duke University Medical Center



Assay Description
In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM31424
PNG
(ethylenediamine scaffold, 5)
Show SMILES Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H42N6O4S/c1-25-8-6-7-9-30(25)43(40,41)38(22-27-14-16-36(17-15-27)31(39)42-32(2,3)4)19-18-37(23-29-21-34-24-35(29)5)28-12-10-26(20-33)11-13-28/h6-13,21,24,27H,14-19,22-23H2,1-5H3
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n/an/a 4.05E+3n/an/an/an/a7.730



Duke University Medical Center



Assay Description
In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra...


Chem Biol 16: 181-92 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%