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Found 8 hits Enz. Inhib. hit(s) with Target = 'Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Escherichia coli (strain K12))
BDBM50458053
PNG
(CHEMBL4214440)
Show SMILES C\C(=N/NC(N)=N)c1sc(nc1C)-c1ccc(cc1)C#CC1CC1
Show InChI InChI=1S/C18H19N5S/c1-11-16(12(2)22-23-18(19)20)24-17(21-11)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13H,3-4H2,1-2H3,(H4,19,20,23)/b22-12+
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PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UPPS using IPP and FPP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by ...


Eur J Med Chem 148: 195-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.031
BindingDB Entry DOI: 10.7270/Q2RR21VD
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Escherichia coli (strain K12))
BDBM25271
PNG
(3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...)
Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)
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Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UPPS in presence of IPP and FPP


J Med Chem 62: 2564-2581 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01878
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Acinetobacter baumannii)
BDBM50533425
PNG
(CHEMBL4576855)
Show SMILES CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C31H34N4O3/c1-22(2)38-27-15-11-25(12-16-27)20-34(18-17-29(32)36)31(37)28-19-33-35(21-24-7-5-4-6-8-24)30(28)26-13-9-23(3)10-14-26/h4-16,19,22H,17-18,20-21H2,1-3H3,(H2,32,36)
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged Acinetobacter baumannii UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing p...


J Med Chem 59: 7299-304 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00746
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Acinetobacter baumannii)
BDBM50533424
PNG
(CHEMBL4574148)
Show SMILES CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc3sccc3c2)cc1
Show InChI InChI=1S/C32H32N4O3S/c1-22(2)39-27-11-8-24(9-12-27)20-35(16-14-30(33)37)32(38)28-19-34-36(21-23-6-4-3-5-7-23)31(28)26-10-13-29-25(18-26)15-17-40-29/h3-13,15,17-19,22H,14,16,20-21H2,1-2H3,(H2,33,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged Acinetobacter baumannii UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing p...


J Med Chem 59: 7299-304 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00746
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50533425
PNG
(CHEMBL4576855)
Show SMILES CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C31H34N4O3/c1-22(2)38-27-15-11-25(12-16-27)20-34(18-17-29(32)36)31(37)28-19-33-35(21-24-7-5-4-6-8-24)30(28)26-13-9-23(3)10-14-26/h4-16,19,22H,17-18,20-21H2,1-3H3,(H2,32,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged Pseudomonas aeruginosa UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing pr...


J Med Chem 59: 7299-304 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00746
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Klebsiella pneumoniae)
BDBM50533424
PNG
(CHEMBL4574148)
Show SMILES CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc3sccc3c2)cc1
Show InChI InChI=1S/C32H32N4O3S/c1-22(2)39-27-11-8-24(9-12-27)20-35(16-14-30(33)37)32(38)28-19-34-36(21-23-6-4-3-5-7-23)31(28)26-10-13-29-25(18-26)15-17-40-29/h3-13,15,17-19,22H,14,16,20-21H2,1-2H3,(H2,33,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged Klebsiella pneumoniae UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing pre...


J Med Chem 59: 7299-304 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00746
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50533424
PNG
(CHEMBL4574148)
Show SMILES CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc3sccc3c2)cc1
Show InChI InChI=1S/C32H32N4O3S/c1-22(2)39-27-11-8-24(9-12-27)20-35(16-14-30(33)37)32(38)28-19-34-36(21-23-6-4-3-5-7-23)31(28)26-10-13-29-25(18-26)15-17-40-29/h3-13,15,17-19,22H,14,16,20-21H2,1-2H3,(H2,33,37)
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged Pseudomonas aeruginosa UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing pr...


J Med Chem 59: 7299-304 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00746
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Klebsiella pneumoniae)
BDBM50533425
PNG
(CHEMBL4576855)
Show SMILES CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C31H34N4O3/c1-22(2)38-27-15-11-25(12-16-27)20-34(18-17-29(32)36)31(37)28-19-33-35(21-24-7-5-4-6-8-24)30(28)26-13-9-23(3)10-14-26/h4-16,19,22H,17-18,20-21H2,1-3H3,(H2,32,36)
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged Klebsiella pneumoniae UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing pre...


J Med Chem 59: 7299-304 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00746
More data for this
Ligand-Target Pair