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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Telomere resolvase ResT' AND taxid = 224326   
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
Telomere resolvase ResT


(Borrelia burgdorferi)
BDBM50335561
PNG
((R)-4-((5S,8R,9S,10S,13S,14S,17R)-10,13-dimethylhe...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C |r|
Show InChI InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24+/m1/s1
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PubMed
n/an/a 1.96E+3n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay


Antimicrob Agents Chemother 53: 4441-9 (2009)


Article DOI: 10.1128/AAC.00529-09
BindingDB Entry DOI: 10.7270/Q26W9BBG
More data for this
Ligand-Target Pair
Telomere resolvase ResT


(Borrelia burgdorferi)
BDBM50335562
PNG
(13-(cyclopent-2-enyl)tridecanoic acid | CHEMBL1649...)
Show SMILES OC(=O)CCCCCCCCCCCCC1CCC=C1 |c:18|
Show InChI InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)
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n/an/a 2.62E+3n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay


Antimicrob Agents Chemother 53: 4441-9 (2009)


Article DOI: 10.1128/AAC.00529-09
BindingDB Entry DOI: 10.7270/Q26W9BBG
More data for this
Ligand-Target Pair
Telomere resolvase ResT


(Borrelia burgdorferi)
BDBM50335560
PNG
(2,2'-(3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-1...)
Show SMILES Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1cc(O)c(O)c2c1cc(cc(O)c2=O)C1Oc2cc(O)cc(O)c2CC1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)
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n/an/a 2.73E+3n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay


Antimicrob Agents Chemother 53: 4441-9 (2009)


Article DOI: 10.1128/AAC.00529-09
BindingDB Entry DOI: 10.7270/Q26W9BBG
More data for this
Ligand-Target Pair
Telomere resolvase ResT


(Borrelia burgdorferi)
BDBM50335558
PNG
(2-(4-(6-(6-carboxy-1,3-dioxo-1H-benzo[de]isoquinol...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2cccc3c(ccc(C1=O)c23)C(O)=O
Show InChI InChI=1S/C39H20N4O8/c44-34-25-5-1-3-21-23(38(48)49)12-14-27(31(21)25)36(46)42(34)19-9-7-18(8-10-19)33-40-29-16-11-20(17-30(29)41-33)43-35(45)26-6-2-4-22-24(39(50)51)13-15-28(32(22)26)37(43)47/h1-17H,(H,40,41)(H,48,49)(H,50,51)
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Article
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay


Antimicrob Agents Chemother 53: 4441-9 (2009)


Article DOI: 10.1128/AAC.00529-09
BindingDB Entry DOI: 10.7270/Q26W9BBG
More data for this
Ligand-Target Pair
Telomere resolvase ResT


(Borrelia burgdorferi)
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
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PubMed
n/an/a 8.67E+3n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay


Antimicrob Agents Chemother 53: 4441-9 (2009)


Article DOI: 10.1128/AAC.00529-09
BindingDB Entry DOI: 10.7270/Q26W9BBG
More data for this
Ligand-Target Pair
Telomere resolvase ResT


(Borrelia burgdorferi)
BDBM50335559
PNG
(4-(4,5-di(biphenyl-4-yl)-1H-imidazol-2-yl)benzoic ...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H24N2O2/c37-34(38)30-21-19-29(20-22-30)33-35-31(27-15-11-25(12-16-27)23-7-3-1-4-8-23)32(36-33)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H,(H,35,36)(H,37,38)
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PubMed
n/an/a 9.52E+3n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay


Antimicrob Agents Chemother 53: 4441-9 (2009)


Article DOI: 10.1128/AAC.00529-09
BindingDB Entry DOI: 10.7270/Q26W9BBG
More data for this
Ligand-Target Pair