Found 57 hits of ic50 for UniProtKB: Q79EC5 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Toxin ParE
(Escherichia coli) | BDBM50047341
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047314
(CHEMBL3314580)Show SMILES COCn1ccnc1-c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047000
(CHEMBL3314550)Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2cccc(C(O)=O)c2s1 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047323
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047345
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047217
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047346
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50046994
(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 |r| Show InChI InChI=1S/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-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047216
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047214
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047311
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047347
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047329
(CHEMBL3314538)Show SMILES CS[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047330
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047215
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047336
(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 |r,wD:5.4,10.11,2.1,(17.01,-23.51,;18.55,-23.45,;19.26,-22.09,;20.8,-22.02,;21.52,-20.65,;20.69,-19.36,;22.23,-19.29,;22.95,-17.93,;22.11,-16.63,;20.57,-16.7,;19.87,-18.07,;18.33,-18.14,;17.5,-16.84,;18.21,-15.47,;15.97,-16.91,;15.12,-18.19,;13.64,-17.78,;12.44,-18.74,;13.57,-16.24,;12.28,-15.39,;15.01,-15.7,;15.42,-14.22,;24.49,-17.86,;25.44,-19.06,;26.89,-18.51,;26.82,-16.98,;25.33,-16.57,;28.02,-16.01,;29.45,-16.58,;27.79,-14.49,;19.15,-19.42,;18.44,-20.78,)| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047348
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047220
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047200
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047308
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047328
(CHEMBL3314537)Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2Cl)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/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+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047221
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047339
(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 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50046999
(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 |r| | UniProtKB/SwissProt
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| Article
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047310
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047313
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| Article
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047315
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047008
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047213
(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 |r| Show InChI InChI=1S/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-/m0/s1 | UniProtKB/SwissProt
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| Article
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047343
(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 |r| | UniProtKB/SwissProt
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047309
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047340
(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 |r| | UniProtKB/SwissProt
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047331
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| Article
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047218
(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 |r| | UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047287
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047198
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047338
(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 |r| | UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047312
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047337
(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 |r| Show InChI InChI=1S/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-/m1/s1 | UniProtKB/SwissProt
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047322
(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 |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047148
(CHEMBL3314557)Show SMILES COCc1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50358854
(CHEMBL1923440)Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2F)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| 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 | UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50046998
(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 |r| Show InChI InChI=1S/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-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047219
(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 |r| | UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047321
(CHEMBL3314530)Show SMILES CCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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UniChem
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047324
(CHEMBL3314533)Show SMILES COCCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r| Show InChI InChI=1S/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+/m1/s1 | UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047334
(CHEMBL3314543)Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCCCO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| | UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047335
(CHEMBL3353959)Show SMILES COC1COC2(CN(CC[C@H]2NC(=O)c2[nH]c(C)c(Cl)c2Cl)c2ncc(s2)C(O)=O)OC1 |r,wD:10.11,(17.01,-23.51,;18.55,-23.45,;19.26,-22.09,;18.44,-20.78,;19.15,-19.42,;20.69,-19.36,;22.23,-19.29,;22.95,-17.93,;22.11,-16.63,;20.57,-16.7,;19.87,-18.07,;18.33,-18.14,;17.5,-16.84,;18.21,-15.47,;15.97,-16.91,;15.12,-18.19,;13.64,-17.78,;12.44,-18.74,;13.57,-16.24,;12.28,-15.39,;15.01,-15.7,;15.42,-14.22,;24.49,-17.86,;25.44,-19.06,;26.89,-18.51,;26.82,-16.98,;25.33,-16.57,;28.02,-16.01,;29.45,-16.58,;27.79,-14.49,;21.52,-20.65,;20.8,-22.02,)| Show InChI InChI=1S/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?/m1/s1 | UniProtKB/SwissProt
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047177
(CHEMBL3314560)Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(O)=O)c(C)s1 |r| Show InChI InChI=1S/C17H20Cl2N4O4S/c1-7-11(18)12(19)14(20-7)15(24)21-9-4-5-23(6-10(9)27-3)17-22-13(16(25)26)8(2)28-17/h9-10,20H,4-6H2,1-3H3,(H,21,24)(H,25,26)/t9-,10+/m1/s1 | UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
Toxin ParE
(Escherichia coli) | BDBM50047012
(CHEMBL3314554)Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)N(C)C)c(s1)C(O)=O |r| Show InChI InChI=1S/C19H23Cl2N5O5S/c1-8-11(20)12(21)13(22-8)16(27)23-9-5-6-26(7-10(9)31-4)19-24-14(17(28)25(2)3)15(32-19)18(29)30/h9-10,22H,5-7H2,1-4H3,(H,23,27)(H,29,30)/t9-,10+/m1/s1 | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATPase activity of Escherichia coli ParE |
J Med Chem 57: 6060-82 (2014)
Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1 |
More data for this
Ligand-Target Pair | |
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