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PubMed code 18295483

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
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
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372752
PNG
(CHEMBL272547)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,23H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372771
PNG
(CHEMBL404127)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(NC1=O)C1CCCCC1
Show InChI InChI=1S/C24H32N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h11-14,16,18,20,22H,1-10,15H2,(H,25,28)(H,26,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372766
PNG
(CHEMBL271482)
Show SMILES O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C19H24N2O3/c22-16-12-15(11-13-7-3-1-4-8-13)21-19(24)17(16)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,20,23)(H,21,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372754
PNG
(CHEMBL272054)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372751
PNG
(CHEMBL256222)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C25H22N2O4/c28-22-16-19(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-18-11-13-21(14-12-18)31-20-9-5-2-6-10-20/h1-14,19,23H,15-16H2,(H,26,29)(H,27,30)
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372750
PNG
(CHEMBL272914)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,22H,2,5-6,13-16H2,(H,25,29)(H,26,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372760
PNG
(CHEMBL257948)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C25H22N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21-22H,11,16H2,(H,26,29)(H,27,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372767
PNG
(CHEMBL272913)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2C(=O)CC(Cc3ccccc3)NC2=O)cn1
Show InChI InChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,16H,8-9H2,(H,24,27)(H,25,28)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372762
PNG
(CHEMBL272162)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C25H28N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1,3-4,7-8,12-15,18,21-22H,2,5-6,9-11,16H2,(H,26,29)(H,27,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372753
PNG
(CHEMBL271845)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372753
PNG
(CHEMBL271845)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372780
PNG
(CHEMBL404126)
Show SMILES CC(C)CC1CC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N1
Show InChI InChI=1S/C22H30N2O3/c1-14(2)12-18-13-19(25)20(22(27)24-18)21(26)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18,20H,3-7,12-13H2,1-2H3,(H,23,26)(H,24,27)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372758
PNG
(CHEMBL269960)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15-16H2,(H,25,28)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372755
PNG
(CHEMBL255828)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)OC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H25NO4/c26-22-20(15-16-7-3-1-4-8-16)29-24(28)21(22)23(27)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,27)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372768
PNG
(CHEMBL272696)
Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C22H20N4O3/c27-19-13-17(12-15-4-2-1-3-5-15)25-22(29)20(19)21(28)24-16-6-8-18(9-7-16)26-11-10-23-14-26/h1-11,14,17,20H,12-13H2,(H,24,28)(H,25,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372759
PNG
(CHEMBL256476)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372770
PNG
(CHEMBL256223)
Show SMILES O=C(Nc1ccc(Nc2ccccc2)cc1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C25H23N3O3/c29-22-16-21(15-17-7-3-1-4-8-17)28-25(31)23(22)24(30)27-20-13-11-19(12-14-20)26-18-9-5-2-6-10-18/h1-14,21,23,26H,15-16H2,(H,27,30)(H,28,31)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372772
PNG
(CHEMBL271293)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C1C(=O)OC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H19NO4/c26-22-20(15-16-7-3-1-4-8-16)29-24(28)21(22)23(27)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20-21H,15H2,(H,25,27)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372761
PNG
(CHEMBL272163)
Show SMILES CC(C)CC1NC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C1=O
Show InChI InChI=1S/C21H28N2O3/c1-13(2)12-17-19(24)18(21(26)23-17)20(25)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17-18H,3-7,12H2,1-2H3,(H,22,25)(H,23,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372778
PNG
(CHEMBL403226)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H26N2O3/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,28)(H,26,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372756
PNG
(CHEMBL404337)
Show SMILES Clc1cc(Cl)cc(NC(=O)C2C(=O)OC(C2=O)c2ccccc2)c1
Show InChI InChI=1S/C17H11Cl2NO4/c18-10-6-11(19)8-12(7-10)20-16(22)13-14(21)15(24-17(13)23)9-4-2-1-3-5-9/h1-8,13,15H,(H,20,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372765
PNG
(CHEMBL256483)
Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)NCC(CC2CCCCC2)C1=O
Show InChI InChI=1S/C22H26N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h6-11,14-16,19H,1-5,12-13H2,(H,24,28)(H,25,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372774
PNG
(CHEMBL270170)
Show SMILES Fc1ccc(NC(=O)C2C(=O)NC(CCc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C19H17FN2O3/c20-13-7-9-14(10-8-13)21-18(24)16-17(23)15(22-19(16)25)11-6-12-4-2-1-3-5-12/h1-5,7-10,15-16H,6,11H2,(H,21,24)(H,22,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372763
PNG
(CHEMBL272377)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(C1=O)c1ccccc1
Show InChI InChI=1S/C23H24N2O3/c26-21-19(23(28)25-20(21)17-9-5-2-6-10-17)22(27)24-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-15,19-20H,1,3-4,7-8H2,(H,24,27)(H,25,28)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372776
PNG
(CHEMBL428250)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(Cc2ncc[nH]2)C1=O
Show InChI InChI=1S/C21H24N4O3/c26-19-16(12-17-22-10-11-23-17)25-21(28)18(19)20(27)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16,18H,1-5,12H2,(H,22,23)(H,24,27)(H,25,28)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372758
PNG
(CHEMBL269960)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15-16H2,(H,25,28)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372769
PNG
(CHEMBL256017)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C25H22N2O5S/c28-22-16-19(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-18-11-13-21(14-12-18)33(31,32)20-9-5-2-6-10-20/h1-14,19,23H,15-16H2,(H,26,29)(H,27,30)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372779
PNG
(CHEMBL271282)
Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)NCC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H20N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h1-11,14,16,19H,12-13H2,(H,24,28)(H,25,29)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372764
PNG
(CHEMBL272703)
Show SMILES CCCCCCOc1ccc(NC(=O)C2C(=O)NC(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C24H28N2O4/c1-2-3-4-8-15-30-19-13-11-18(12-14-19)25-23(28)21-22(27)20(26-24(21)29)16-17-9-6-5-7-10-17/h5-7,9-14,20-21H,2-4,8,15-16H2,1H3,(H,25,28)(H,26,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372757
PNG
(CHEMBL256033)
Show SMILES Clc1ccc(NC(=O)C2C(=O)OC(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H12ClNO4/c18-11-6-8-12(9-7-11)19-16(21)13-14(20)15(23-17(13)22)10-4-2-1-3-5-10/h1-9,13,15H,(H,19,21)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372773
PNG
(CHEMBL401577)
Show SMILES O=C(NC1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C19H24N2O3/c22-17-15(12-11-13-7-3-1-4-8-13)21-19(24)16(17)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H,20,23)(H,21,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372752
PNG
(CHEMBL272547)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,23H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372766
PNG
(CHEMBL271482)
Show SMILES O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C19H24N2O3/c22-16-12-15(11-13-7-3-1-4-8-13)21-19(24)17(16)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,20,23)(H,21,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372751
PNG
(CHEMBL256222)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C25H22N2O4/c28-22-16-19(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-18-11-13-21(14-12-18)31-20-9-5-2-6-10-20/h1-14,19,23H,15-16H2,(H,26,29)(H,27,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372775
PNG
(CHEMBL257947)
Show SMILES COCC1NC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C1=O
Show InChI InChI=1S/C19H24N2O4/c1-25-11-15-17(22)16(19(24)21-15)18(23)20-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12,15-16H,2-6,11H2,1H3,(H,20,23)(H,21,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372750
PNG
(CHEMBL272914)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,22H,2,5-6,13-16H2,(H,25,29)(H,26,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372761
PNG
(CHEMBL272163)
Show SMILES CC(C)CC1NC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C1=O
Show InChI InChI=1S/C21H28N2O3/c1-13(2)12-17-19(24)18(21(26)23-17)20(25)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17-18H,3-7,12H2,1-2H3,(H,22,25)(H,23,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372767
PNG
(CHEMBL272913)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2C(=O)CC(Cc3ccccc3)NC2=O)cn1
Show InChI InChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,16H,8-9H2,(H,24,27)(H,25,28)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372756
PNG
(CHEMBL404337)
Show SMILES Clc1cc(Cl)cc(NC(=O)C2C(=O)OC(C2=O)c2ccccc2)c1
Show InChI InChI=1S/C17H11Cl2NO4/c18-10-6-11(19)8-12(7-10)20-16(22)13-14(21)15(24-17(13)23)9-4-2-1-3-5-9/h1-8,13,15H,(H,20,22)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372753
PNG
(CHEMBL271845)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372753
PNG
(CHEMBL271845)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372755
PNG
(CHEMBL255828)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)OC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H25NO4/c26-22-20(15-16-7-3-1-4-8-16)29-24(28)21(22)23(27)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372757
PNG
(CHEMBL256033)
Show SMILES Clc1ccc(NC(=O)C2C(=O)OC(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H12ClNO4/c18-11-6-8-12(9-7-11)19-16(21)13-14(20)15(23-17(13)22)10-4-2-1-3-5-10/h1-9,13,15H,(H,19,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372759
PNG
(CHEMBL256476)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372777
PNG
(CHEMBL272164)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CNC1=O
Show InChI InChI=1S/C17H20N2O3/c20-14-10-18-16(21)15(14)17(22)19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,18,21)(H,19,22)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372762
PNG
(CHEMBL272162)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C25H28N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1,3-4,7-8,12-15,18,21-22H,2,5-6,9-11,16H2,(H,26,29)(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372754
PNG
(CHEMBL272054)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372763
PNG
(CHEMBL272377)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(C1=O)c1ccccc1
Show InChI InChI=1S/C23H24N2O3/c26-21-19(23(28)25-20(21)17-9-5-2-6-10-17)22(27)24-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-15,19-20H,1,3-4,7-8H2,(H,24,27)(H,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372778
PNG
(CHEMBL403226)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H26N2O3/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,28)(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372760
PNG
(CHEMBL257948)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C1C(=O)NC(CCc2ccccc2)C1=O
Show InChI InChI=1S/C25H22N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21-22H,11,16H2,(H,26,29)(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%