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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with Target = 'ParE'   
Target
(Institution)
LigandTarget
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
Toxin ParE


(Escherichia coli)
BDBM50047341
PNG
(CHEMBL3314585)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2ncc[nH]2)c(s1)C(O)=O
Show InChI InChI=1/C19H20Cl2N6O4S/c1-8-11(20)12(21)13(24-8)17(28)25-9-3-6-27(7-10(9)31-2)19-26-14(15(32-19)18(29)30)16-22-4-5-23-16/h4-5,9-10,24H,3,6-7H2,1-2H3,(H,22,23)(H,25,28)(H,29,30)/t9-,10+/s2
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n/an/a 0.120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047314
PNG
(CHEMBL3314580)
Show SMILES COCn1ccnc1-c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C21H24Cl2N6O5S/c1-10-13(22)14(23)15(25-10)19(30)26-11-4-6-28(8-12(11)34-3)21-27-16(17(35-21)20(31)32)18-24-5-7-29(18)9-33-2/h5,7,11-12,25H,4,6,8-9H2,1-3H3,(H,26,30)(H,31,32)/t11-,12+/s2
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n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047000
PNG
(CHEMBL3314550)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2cccc(C(O)=O)c2s1
Show InChI InChI=1/C20H20Cl2N4O4S/c1-9-14(21)15(22)16(23-9)18(27)24-11-6-7-26(8-13(11)30-2)20-25-12-5-3-4-10(19(28)29)17(12)31-20/h3-5,11,13,23H,6-8H2,1-2H3,(H,24,27)(H,28,29)/t11-,13+/s2
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047323
PNG
(CHEMBL3314532)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC#C)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C18H18Cl2N4O4S/c1-3-6-28-11-8-24(18-21-7-12(29-18)17(26)27)5-4-10(11)23-16(25)15-14(20)13(19)9(2)22-15/h1,7,10-11,22H,4-6,8H2,2H3,(H,23,25)(H,26,27)/t10-,11+/s2
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047345
PNG
(CHEMBL3314588)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1
Show InChI InChI=1/C27H35Cl2N9O4S/c1-15-20(28)21(29)23(32-15)25(39)34-16-4-6-38(14-18(16)42-3)27-35-22(24(43-27)26(40)41)17-12-30-13-19(33-17)31-5-7-37-10-8-36(2)9-11-37/h12-13,16,18,32H,4-11,14H2,1-3H3,(H,31,33)(H,34,39)(H,40,41)/t16-,18+/s2
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047217
PNG
(CHEMBL3314569)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCC2OCCO2)c(s1)C(O)=O
Show InChI InChI=1/C21H25Cl2N5O7S/c1-9-13(22)14(23)15(25-9)19(30)26-10-3-4-28(8-11(10)33-2)21-27-16(17(36-21)20(31)32)18(29)24-7-12-34-5-6-35-12/h10-12,25H,3-8H2,1-2H3,(H,24,29)(H,26,30)(H,31,32)/t10-,11+/s2
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047346
PNG
(CHEMBL3314589)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccccn1
Show InChI InChI=1/C21H21Cl2N5O4S/c1-10-14(22)15(23)17(25-10)19(29)26-11-6-8-28(9-13(11)32-2)21-27-16(18(33-21)20(30)31)12-5-3-4-7-24-12/h3-5,7,11,13,25H,6,8-9H2,1-2H3,(H,26,29)(H,30,31)/t11-,13+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50046994
PNG
(CHEMBL3314547)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC3(CC3)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C20H22Cl2N4O5S/c1-10-13(21)14(22)15(24-10)16(27)25-12-2-5-26(18-23-6-11(32-18)17(28)29)7-20(12)30-8-19(3-4-19)9-31-20/h6,12,24H,2-5,7-9H2,1H3,(H,25,27)(H,28,29)/t12-/s2
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047216
PNG
(CHEMBL3314568)
Show SMILES COCC(COC)(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C24H33Cl2N5O8S/c1-12-15(25)16(26)17(27-12)20(32)28-13-6-7-31(8-14(13)39-5)23-29-18(19(40-23)22(34)35)21(33)30-24(9-36-2,10-37-3)11-38-4/h13-14,27H,6-11H2,1-5H3,(H,28,32)(H,30,33)(H,34,35)/t13-,14+/s2
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047214
PNG
(CHEMBL3314566)
Show SMILES CO[C@@H](C)CNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C21H27Cl2N5O6S/c1-9(33-3)7-24-18(29)16-17(20(31)32)35-21(27-16)28-6-5-11(12(8-28)34-4)26-19(30)15-14(23)13(22)10(2)25-15/h9,11-12,25H,5-8H2,1-4H3,(H,24,29)(H,26,30)(H,31,32)/t9-,11+,12-/s2
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n/an/a 43n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047311
PNG
(CHEMBL3314578)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccncn1
Show InChI InChI=1/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-10-4-6-28(7-12(10)32-2)20-27-15(17(33-20)19(30)31)11-3-5-23-8-24-11/h3,5,8,10,12,25H,4,6-7H2,1-2H3,(H,26,29)(H,30,31)/t10-,12+/s2
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n/an/a 43n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047347
PNG
(CHEMBL3314590)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2nccs2)c(s1)C(O)=O
Show InChI InChI=1/C19H19Cl2N5O4S2/c1-8-11(20)12(21)13(23-8)16(27)24-9-3-5-26(7-10(9)30-2)19-25-14(15(32-19)18(28)29)17-22-4-6-31-17/h4,6,9-10,23H,3,5,7H2,1-2H3,(H,24,27)(H,28,29)/t9-,10+/s2
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n/an/a 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047329
PNG
(CHEMBL3314538)
Show SMILES CS[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O
Show InChI InChI=1/C16H18Cl2N4O3S2/c1-7-11(17)12(18)13(20-7)14(23)21-8-3-4-22(6-10(8)26-2)16-19-5-9(27-16)15(24)25/h5,8,10,20H,3-4,6H2,1-2H3,(H,21,23)(H,24,25)/t8-,10+/s2
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047330
PNG
(CHEMBL3314539)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2S(C)(=O)=O)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C16H18Cl2N4O5S2/c1-7-11(17)12(18)13(20-7)14(23)21-8-3-4-22(6-10(8)29(2,26)27)16-19-5-9(28-16)15(24)25/h5,8,10,20H,3-4,6H2,1-2H3,(H,21,23)(H,24,25)/t8-,10+/s2
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047336
PNG
(CHEMBL3314545)
Show SMILES CO[C@H]1CO[C@]2(CN(CC[C@H]2NC(=O)c2[nH]c(C)c(Cl)c2Cl)c2ncc(s2)C(O)=O)OC1
Show InChI InChI=1/C19H22Cl2N4O6S/c1-9-13(20)14(21)15(23-9)16(26)24-12-3-4-25(18-22-5-11(32-18)17(27)28)8-19(12)30-6-10(29-2)7-31-19/h5,10,12,23H,3-4,6-8H2,1-2H3,(H,24,26)(H,27,28)/t10-,12-,19+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047215
PNG
(CHEMBL3314567)
Show SMILES COCC(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C22H29Cl2N5O7S/c1-10-14(23)15(24)16(25-10)19(30)27-12-5-6-29(7-13(12)36-4)22-28-17(18(37-22)21(32)33)20(31)26-11(8-34-2)9-35-3/h11-13,25H,5-9H2,1-4H3,(H,26,31)(H,27,30)(H,32,33)/t12-,13+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047348
PNG
(CHEMBL3314591)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2csc(N)n2)c(s1)C(O)=O
Show InChI InChI=1/C19H20Cl2N6O4S2/c1-7-11(20)12(21)14(23-7)16(28)24-8-3-4-27(5-10(8)31-2)19-26-13(15(33-19)17(29)30)9-6-32-18(22)25-9/h6,8,10,23H,3-5H2,1-2H3,(H2,22,25)(H,24,28)(H,29,30)/t8-,10+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047220
PNG
(CHEMBL3314572)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCCN2CCCC2=O)c(s1)C(O)=O
Show InChI InChI=1/C23H28Cl2N6O6S/c1-11-15(24)16(25)17(27-11)21(34)28-12-5-8-31(10-13(12)37-2)23-29-18(19(38-23)22(35)36)20(33)26-6-9-30-7-3-4-14(30)32/h12-13,27H,3-10H2,1-2H3,(H,26,33)(H,28,34)(H,35,36)/t12-,13+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047200
PNG
(CHEMBL3314564)
Show SMILES COCCNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C20H25Cl2N5O6S/c1-9-12(21)13(22)14(24-9)18(29)25-10-4-6-27(8-11(10)33-3)20-26-15(16(34-20)19(30)31)17(28)23-5-7-32-2/h10-11,24H,4-8H2,1-3H3,(H,23,28)(H,25,29)(H,30,31)/t10-,11+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047308
PNG
(CHEMBL3314575)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cnccn1
Show InChI InChI=1/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-10-3-6-28(8-12(10)32-2)20-27-15(17(33-20)19(30)31)11-7-23-4-5-24-11/h4-5,7,10,12,25H,3,6,8H2,1-2H3,(H,26,29)(H,30,31)/t10-,12+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047221
PNG
(CHEMBL3314573)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCCN2CCOCC2)c(s1)C(O)=O
Show InChI InChI=1/C23H30Cl2N6O6S/c1-12-15(24)16(25)17(27-12)21(33)28-13-3-5-31(11-14(13)36-2)23-29-18(19(38-23)22(34)35)20(32)26-4-6-30-7-9-37-10-8-30/h13-14,27H,3-11H2,1-2H3,(H,26,32)(H,28,33)(H,34,35)/t13-,14+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047328
PNG
(CHEMBL3314537)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2Cl)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C15H15Cl3N4O3S/c1-6-10(17)11(18)12(20-6)13(23)21-8-2-3-22(5-7(8)16)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/s2
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n/an/a 59n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047339
PNG
(CHEMBL3314583)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2cn(C)cn2)c(s1)C(O)=O
Show InChI InChI=1/C20H22Cl2N6O4S/c1-9-13(21)14(22)16(24-9)18(29)25-10-4-5-28(7-12(10)32-3)20-26-15(17(33-20)19(30)31)11-6-27(2)8-23-11/h6,8,10,12,24H,4-5,7H2,1-3H3,(H,25,29)(H,30,31)/t10-,12+/s2
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n/an/a 62n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50046999
PNG
(CHEMBL3314549)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C)c(s1)C(O)=O
Show InChI InChI=1/C17H20Cl2N4O4S/c1-7-11(18)12(19)13(20-7)15(24)22-9-4-5-23(6-10(9)27-3)17-21-8(2)14(28-17)16(25)26/h9-10,20H,4-6H2,1-3H3,(H,22,24)(H,25,26)/t9-,10+/s2
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n/an/a 65n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047310
PNG
(CHEMBL3314577)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ncccn1
Show InChI InChI=1/C20H20Cl2N6O4S/c1-9-12(21)13(22)14(25-9)18(29)26-10-4-7-28(8-11(10)32-2)20-27-15(16(33-20)19(30)31)17-23-5-3-6-24-17/h3,5-6,10-11,25H,4,7-8H2,1-2H3,(H,26,29)(H,30,31)/t10-,11+/s2
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047313
PNG
(CHEMBL3314579)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nc(OC)cc(OC)n1
Show InChI InChI=1/C22H24Cl2N6O6S/c1-9-14(23)15(24)16(25-9)20(31)26-10-5-6-30(8-11(10)34-2)22-29-17(18(37-22)21(32)33)19-27-12(35-3)7-13(28-19)36-4/h7,10-11,25H,5-6,8H2,1-4H3,(H,26,31)(H,32,33)/t10-,11+/s2
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047315
PNG
(CHEMBL3314581)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nccc(OC)n1
Show InChI InChI=1/C21H22Cl2N6O5S/c1-9-13(22)14(23)15(25-9)19(30)26-10-5-7-29(8-11(10)33-2)21-28-16(17(35-21)20(31)32)18-24-6-4-12(27-18)34-3/h4,6,10-11,25H,5,7-8H2,1-3H3,(H,26,30)(H,31,32)/t10-,11+/s2
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047008
PNG
(CHEMBL3314553)
Show SMILES CNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C18H21Cl2N5O5S/c1-7-10(19)11(20)12(22-7)16(27)23-8-4-5-25(6-9(8)30-3)18-24-13(15(26)21-2)14(31-18)17(28)29/h8-9,22H,4-6H2,1-3H3,(H,21,26)(H,23,27)(H,28,29)/t8-,9+/s2
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n/an/a 72n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047213
PNG
(CHEMBL3314565)
Show SMILES COC[C@H](C)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C21H27Cl2N5O6S/c1-9(8-33-3)24-19(30)16-17(20(31)32)35-21(27-16)28-6-5-11(12(7-28)34-4)26-18(29)15-14(23)13(22)10(2)25-15/h9,11-12,25H,5-8H2,1-4H3,(H,24,30)(H,26,29)(H,31,32)/t9-,11+,12-/s2
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n/an/a 73n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047343
PNG
(CHEMBL3314586)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2nc(C)no2)c(s1)C(O)=O
Show InChI InChI=1/C19H20Cl2N6O5S/c1-7-11(20)12(21)13(22-7)16(28)24-9-4-5-27(6-10(9)31-3)19-25-14(15(33-19)18(29)30)17-23-8(2)26-32-17/h9-10,22H,4-6H2,1-3H3,(H,24,28)(H,29,30)/t9-,10+/s2
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047309
PNG
(CHEMBL3314576)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ncnn1C
Show InChI InChI=1/C19H21Cl2N7O4S/c1-8-11(20)12(21)13(24-8)17(29)25-9-4-5-28(6-10(9)32-3)19-26-14(15(33-19)18(30)31)16-22-7-23-27(16)2/h7,9-10,24H,4-6H2,1-3H3,(H,25,29)(H,30,31)/t9-,10+/s2
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n/an/a 85n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047340
PNG
(CHEMBL3314584)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2ccn[nH]2)c(s1)C(O)=O
Show InChI InChI=1/C19H20Cl2N6O4S/c1-8-12(20)13(21)15(23-8)17(28)24-9-4-6-27(7-11(9)31-2)19-25-14(10-3-5-22-26-10)16(32-19)18(29)30/h3,5,9,11,23H,4,6-7H2,1-2H3,(H,22,26)(H,24,28)(H,29,30)/t9-,11+/s2
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n/an/a 87n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047331
PNG
(CHEMBL3314540)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2N=[N+]=[N-])c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C15H15Cl2N7O3S/c1-6-10(16)11(17)12(20-6)13(25)21-7-2-3-24(5-8(7)22-23-18)15-19-4-9(28-15)14(26)27/h4,7-8,20H,2-3,5H2,1H3,(H,21,25)(H,26,27)/t7-,8+/s2
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n/an/a 97n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047218
PNG
(CHEMBL3314570)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NC2COC(C)(C)OC2)c(s1)C(O)=O
Show InChI InChI=1/C23H29Cl2N5O7S/c1-10-14(24)15(25)16(26-10)19(31)28-12-5-6-30(7-13(12)35-4)22-29-17(18(38-22)21(33)34)20(32)27-11-8-36-23(2,3)37-9-11/h11-13,26H,5-9H2,1-4H3,(H,27,32)(H,28,31)(H,33,34)/t12-,13+/s2
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047287
PNG
(CHEMBL3314574)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NN2CCOCC2)c(s1)C(O)=O
Show InChI InChI=1/C21H26Cl2N6O6S/c1-10-13(22)14(23)15(24-10)18(30)25-11-3-4-28(9-12(11)34-2)21-26-16(17(36-21)20(32)33)19(31)27-29-5-7-35-8-6-29/h11-12,24H,3-9H2,1-2H3,(H,25,30)(H,27,31)(H,32,33)/t11-,12+/s2
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378443
PNG
(CHEMBL568020)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(C)nc1)-c1ncccn1
Show InChI InChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28)
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n/an/a 119n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047198
PNG
(CHEMBL3314563)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(N)=O)c(s1)C(O)=O
Show InChI InChI=1/C17H19Cl2N5O5S/c1-6-9(18)10(19)11(21-6)15(26)22-7-3-4-24(5-8(7)29-2)17-23-12(14(20)25)13(30-17)16(27)28/h7-8,21H,3-5H2,1-2H3,(H2,20,25)(H,22,26)(H,27,28)/t7-,8+/s2
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047312
PNG
(CHEMBL3313938)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncnc1
Show InChI InChI=1/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-11-3-4-28(7-12(11)32-2)20-27-15(17(33-20)19(30)31)10-5-23-8-24-6-10/h5-6,8,11-12,25H,3-4,7H2,1-2H3,(H,26,29)(H,30,31)/t11-,12+/s2
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047338
PNG
(CHEMBL3314582)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nccn1C
Show InChI InChI=1/C20H22Cl2N6O4S/c1-9-12(21)13(22)14(24-9)18(29)25-10-4-6-28(8-11(10)32-3)20-26-15(16(33-20)19(30)31)17-23-5-7-27(17)2/h5,7,10-11,24H,4,6,8H2,1-3H3,(H,25,29)(H,30,31)/t10-,11+/s2
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047337
PNG
(CHEMBL3314546)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC(C)(C)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C20H24Cl2N4O5S/c1-10-13(21)14(22)15(24-10)16(27)25-12-4-5-26(18-23-6-11(32-18)17(28)29)7-20(12)30-8-19(2,3)9-31-20/h6,12,24H,4-5,7-9H2,1-3H3,(H,25,27)(H,28,29)/t12-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378445
PNG
(CHEMBL565776)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(OC)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047322
PNG
(CHEMBL3314531)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC=C)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C18H20Cl2N4O4S/c1-3-6-28-11-8-24(18-21-7-12(29-18)17(26)27)5-4-10(11)23-16(25)15-14(20)13(19)9(2)22-15/h3,7,10-11,22H,1,4-6,8H2,2H3,(H,23,25)(H,26,27)/t10-,11+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047148
PNG
(CHEMBL3314557)
Show SMILES COCc1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC
Show InChI InChI=1/C18H22Cl2N4O5S/c1-8-12(19)13(20)14(21-8)16(25)22-9-4-5-24(6-11(9)29-3)18-23-10(7-28-2)15(30-18)17(26)27/h9,11,21H,4-7H2,1-3H3,(H,22,25)(H,26,27)/t9-,11+/s2
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50358854
PNG
(CHEMBL1923440)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2F)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C15H15Cl2FN4O3S/c1-6-10(16)11(17)12(20-6)13(23)21-8-2-3-22(5-7(8)18)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50046998
PNG
(CHEMBL3314548)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC(=C)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C19H20Cl2N4O5S/c1-9-6-29-19(30-7-9)8-25(18-22-5-11(31-18)17(27)28)4-3-12(19)24-16(26)15-14(21)13(20)10(2)23-15/h5,12,23H,1,3-4,6-8H2,2H3,(H,24,26)(H,27,28)/t12-/s2
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n/an/a 170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047219
PNG
(CHEMBL3314571)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCC2(C)OCCO2)c(s1)C(O)=O
Show InChI InChI=1/C22H27Cl2N5O7S/c1-10-13(23)14(24)15(26-10)19(31)27-11-4-5-29(8-12(11)34-3)21-28-16(17(37-21)20(32)33)18(30)25-9-22(2)35-6-7-36-22/h11-12,26H,4-9H2,1-3H3,(H,25,30)(H,27,31)(H,32,33)/t11-,12+/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047324
PNG
(CHEMBL3314533)
Show SMILES COCCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O
Show InChI InChI=1/C18H22Cl2N4O5S/c1-9-13(19)14(20)15(22-9)16(25)23-10-3-4-24(8-11(10)29-6-5-28-2)18-21-7-12(30-18)17(26)27/h7,10-11,22H,3-6,8H2,1-2H3,(H,23,25)(H,26,27)/t10-,11+/s2
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047321
PNG
(CHEMBL3314530)
Show SMILES CCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O
Show InChI InChI=1/C17H20Cl2N4O4S/c1-3-27-10-7-23(17-20-6-11(28-17)16(25)26)5-4-9(10)22-15(24)14-13(19)12(18)8(2)21-14/h6,9-10,21H,3-5,7H2,1-2H3,(H,22,24)(H,25,26)/t9-,10+/s2
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047334
PNG
(CHEMBL3314543)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCCCO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1/C18H20Cl2N4O5S/c1-9-12(19)13(20)14(22-9)15(25)23-11-3-4-24(8-18(11)28-5-2-6-29-18)17-21-7-10(30-17)16(26)27/h7,11,22H,2-6,8H2,1H3,(H,23,25)(H,26,27)/t11-/s2
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047316
PNG
(CHEMBL3314525)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O
Show InChI InChI=1/C16H18Cl2N4O4S/c1-7-11(17)12(18)13(20-7)14(23)21-8-3-4-22(6-9(8)26-2)16-19-5-10(27-16)15(24)25/h5,8-9,20H,3-4,6H2,1-2H3,(H,21,23)(H,24,25)/t8-,9+/s2
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n/an/a 240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


Citation and Details
More data for this
Ligand-Target Pair
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