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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'UvrD helicase (PfUDN)'   
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
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
UniProtKB/TrEMBL

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n/an/a 9.90E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
UniProtKB/TrEMBL

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KEGG
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PubMed
n/an/a 3.10E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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n/an/a 4.40E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM50055660
PNG
(1-amino-3-(4-(4-(2-(amino(iminio)methylamino)aceta...)
Show SMILES [#6]-n1cc(-[#7]-[#6](=O)-c2cc(-[#7]-[#6](=O)-[#6]\[#7]=[#6](\[#7])-[#7])cn2-[#6])cc1-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
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n/an/a 3.10E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM50370548
PNG
(NOGALAMYCIN)
Show SMILES CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC |r|
Show InChI InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
UniProtKB/TrEMBL

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n/an/a 3.50E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
UniProtKB/TrEMBL

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KEGG
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n/an/a 4.80E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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n/an/a 3.00E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM50055660
PNG
(1-amino-3-(4-(4-(2-(amino(iminio)methylamino)aceta...)
Show SMILES [#6]-n1cc(-[#7]-[#6](=O)-c2cc(-[#7]-[#6](=O)-[#6]\[#7]=[#6](\[#7])-[#7])cn2-[#6])cc1-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
UniProtKB/TrEMBL

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n/an/a 4.70E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)		BDBM50370548
PNG
(NOGALAMYCIN)
Show SMILES CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC |r|
Show InChI InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
UniProtKB/TrEMBL

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MCE
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n/an/a 3.30E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...

BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair