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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'mouray' and Initial = 'e'   
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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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230n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481625
PNG
(CHEMBL599795)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C18H28O4/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17(19)20)18(21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)/b14-9+,15-11+
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260n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481615
PNG
(CHEMBL590126)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]\[#6]=[#6]\c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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500n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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5.60E+3n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481615
PNG
(CHEMBL590126)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]\[#6]=[#6]\c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481615
PNG
(CHEMBL590126)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]\[#6]=[#6]\c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM50067584
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
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n/an/a 0.780n/an/an/an/a7.5n/a



Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123594
PNG
((7-Chloro-quinolin-4-yl)-{3-[4-(3-dibutylamino-pro...)
Show SMILES CCCCN(CCCC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C27H44ClN5/c1-3-5-14-31(15-6-4-2)17-8-18-33-21-19-32(20-22-33)16-7-12-29-26-11-13-30-27-23-24(28)9-10-25(26)27/h9-11,13,23H,3-8,12,14-22H2,1-2H3,(H,29,30)
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n/an/a 6.70n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139469
PNG
(CHEMBL3763335)
Show SMILES [O-][N+](=O)c1ccc(Cn2cncc2CNc2scc(c2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H16ClN5O2S/c23-17-5-3-16(4-6-17)21-13-31-22(20(21)9-24)26-11-19-10-25-14-27(19)12-15-1-7-18(8-2-15)28(29)30/h1-8,10,13-14,26H,11-12H2
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n/an/a 10n/an/an/an/an/an/a



CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase alpha subunit/subunit beta


(Trypanosoma brucei brucei)
BDBM50067584
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, as described for human FTase with the dansylated peptide Dansyl-GCAIM and the solution contains 15 μL of...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139637
PNG
(CHEMBL3765675)
Show SMILES CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(cc2)C#N)Cc2cncn2Cc2ccc(cc2)C#N)c(C#N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C38H29ClN8O2S/c1-2-49-38(48)36-35(30-11-13-31(39)14-12-30)34(17-42)37(50-36)45(22-32-18-43-24-46(32)20-28-7-3-26(15-40)4-8-28)23-33-19-44-25-47(33)21-29-9-5-27(16-41)6-10-29/h3-14,18-19,24-25H,2,20-23H2,1H3
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n/an/a 13n/an/an/an/an/an/a



CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123579
PNG
(CHEMBL345958 | [3-(4-{3-[Bis-(4-nitro-benzyl)-amin...)
Show SMILES [O-][N+](=O)c1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C33H38ClN7O4/c34-28-7-12-31-32(13-15-36-33(31)23-28)35-14-1-16-37-19-21-38(22-20-37)17-2-18-39(24-26-3-8-29(9-4-26)40(42)43)25-27-5-10-30(11-6-27)41(44)45/h3-13,15,23H,1-2,14,16-22,24-25H2,(H,35,36)
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n/an/a 15n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067584
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, as described for yeast FTase but octyl-D-glucopyranoside (0.18%) was used instead of CHAPS and the solution c...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123587
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(cyclopropylmeth...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCC4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C23H34ClN5/c24-20-5-6-21-22(7-10-27-23(21)17-20)26-9-2-12-29-15-13-28(14-16-29)11-1-8-25-18-19-3-4-19/h5-7,10,17,19,25H,1-4,8-9,11-16,18H2,(H,26,27)
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n/an/a 23.3n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50409777
PNG
(CHEMBL2111198)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN[C@@H]4Cc5ccccc5CN4)CC3)ccnc2c1 |r|
Show InChI InChI=1S/C28H37ClN6/c29-24-7-8-25-26(9-12-31-27(25)20-24)30-10-3-13-34-15-17-35(18-16-34)14-4-11-32-28-19-22-5-1-2-6-23(22)21-33-28/h1-2,5-9,12,20,28,32-33H,3-4,10-11,13-19,21H2,(H,30,31)/t28-/m0/s1
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n/an/a 23.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123575
PNG
((3-{4-[3-(Bis-cyclopropylmethyl-amino)-propyl]-pip...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C27H40ClN5/c28-24-7-8-25-26(9-11-30-27(25)19-24)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-22-3-4-22)21-23-5-6-23/h7-9,11,19,22-23H,1-6,10,12-18,20-21H2,(H,29,30)
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n/an/a 27.1n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123577
PNG
(CHEMBL152862 | Cyclopropanecarboxylic acid (3-{4-[...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)C4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C23H32ClN5O/c24-19-5-6-20-21(7-10-26-22(20)17-19)25-8-1-11-28-13-15-29(16-14-28)12-2-9-27-23(30)18-3-4-18/h5-7,10,17-18H,1-4,8-9,11-16H2,(H,25,26)(H,27,30)
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n/an/a 34n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123561
PNG
(CHEMBL149751 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C27H34ClN5O2/c1-35-23-7-4-21(5-8-23)27(34)31-12-3-15-33-18-16-32(17-19-33)14-2-11-29-25-10-13-30-26-20-22(28)6-9-24(25)26/h4-10,13,20H,2-3,11-12,14-19H2,1H3,(H,29,30)(H,31,34)
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n/an/a 34.2n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123569
PNG
(CHEMBL357111 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C26H31ClN6O3/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(7-4-20)33(35)36/h3-9,12,19H,1-2,10-11,13-18H2,(H,28,29)(H,30,34)
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n/an/a 35.6n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123558
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(3-phenoxy-benzy...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCc4cccc(Oc5ccccc5)c4)CC3)ccnc2c1
Show InChI InChI=1S/C32H38ClN5O/c33-27-11-12-30-31(13-16-36-32(30)24-27)35-15-6-18-38-21-19-37(20-22-38)17-5-14-34-25-26-7-4-10-29(23-26)39-28-8-2-1-3-9-28/h1-4,7-13,16,23-24,34H,5-6,14-15,17-22,25H2,(H,35,36)
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n/an/a 37.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123571
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-nitro-benzyla...)
Show SMILES [O-][N+](=O)c1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
Show InChI InChI=1S/C26H33ClN6O2/c27-22-5-8-24-25(9-12-30-26(24)19-22)29-11-2-14-32-17-15-31(16-18-32)13-1-10-28-20-21-3-6-23(7-4-21)33(34)35/h3-9,12,19,28H,1-2,10-11,13-18,20H2,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123562
PNG
(CHEMBL152635 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES CCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C23H34ClN5O/c1-2-5-23(30)27-10-4-13-29-16-14-28(15-17-29)12-3-9-25-21-8-11-26-22-18-19(24)6-7-20(21)22/h6-8,11,18H,2-5,9-10,12-17H2,1H3,(H,25,26)(H,27,30)
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n/an/a 40.2n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123565
PNG
((7-Chloro-quinolin-4-yl)-[3-(4-{3-[(quinolin-4-ylm...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCc4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C29H35ClN6/c30-24-7-8-26-28(10-14-34-29(26)21-24)32-12-4-16-36-19-17-35(18-20-36)15-3-11-31-22-23-9-13-33-27-6-2-1-5-25(23)27/h1-2,5-10,13-14,21,31H,3-4,11-12,15-20,22H2,(H,32,34)
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n/an/a 42.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123572
PNG
((3-{4-[3-(Bis-quinolin-4-ylmethyl-amino)-propyl]-p...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(Cc4ccnc5ccccc45)Cc4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C39H42ClN7/c40-32-11-12-35-38(15-19-44-39(35)27-32)41-16-5-20-45-23-25-46(26-24-45)21-6-22-47(28-30-13-17-42-36-9-3-1-7-33(30)36)29-31-14-18-43-37-10-4-2-8-34(31)37/h1-4,7-15,17-19,27H,5-6,16,20-26,28-29H2,(H,41,44)
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n/an/a 43.4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123613
PNG
(CHEMBL152886 | [3-(4-{3-[Bis-(4-methoxy-benzyl)-am...)
Show SMILES COc1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C35H44ClN5O2/c1-42-31-10-5-28(6-11-31)26-41(27-29-7-12-32(43-2)13-8-29)20-4-19-40-23-21-39(22-24-40)18-3-16-37-34-15-17-38-35-25-30(36)9-14-33(34)35/h5-15,17,25H,3-4,16,18-24,26-27H2,1-2H3,(H,37,38)
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n/an/a 47.8n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123582
PNG
(CHEMBL422682 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C29H33ClN6O/c30-22-7-8-25-27(10-14-33-28(25)21-22)31-11-3-15-35-17-19-36(20-18-35)16-4-12-34-29(37)24-9-13-32-26-6-2-1-5-23(24)26/h1-2,5-10,13-14,21H,3-4,11-12,15-20H2,(H,31,33)(H,34,37)
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n/an/a 50.6n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123566
PNG
(CHEMBL356249 | N-(3-(4-(3-(butylamino)propyl)piper...)
Show SMILES CCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C23H36ClN5/c1-2-3-9-25-10-4-13-28-15-17-29(18-16-28)14-5-11-26-22-8-12-27-23-19-20(24)6-7-21(22)23/h6-8,12,19,25H,2-5,9-11,13-18H2,1H3,(H,26,27)
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n/an/a 50.9n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123585
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-methoxy-benzy...)
Show SMILES COc1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
Show InChI InChI=1S/C27H36ClN5O/c1-34-24-7-4-22(5-8-24)21-29-11-2-14-32-16-18-33(19-17-32)15-3-12-30-26-10-13-31-27-20-23(28)6-9-25(26)27/h4-10,13,20,29H,2-3,11-12,14-19,21H2,1H3,(H,30,31)
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n/an/a 61.4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123574
PNG
(CHEMBL346177 | [3-(4-{3-[Bis-(4-phenoxy-benzyl)-am...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(Cc4ccc(Oc5ccccc5)cc4)Cc4ccc(Oc5ccccc5)cc4)CC3)ccnc2c1
Show InChI InChI=1S/C45H48ClN5O2/c46-38-17-22-43-44(23-25-48-45(43)33-38)47-24-7-26-49-29-31-50(32-30-49)27-8-28-51(34-36-13-18-41(19-14-36)52-39-9-3-1-4-10-39)35-37-15-20-42(21-16-37)53-40-11-5-2-6-12-40/h1-6,9-23,25,33H,7-8,24,26-32,34-35H2,(H,47,48)
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n/an/a 74.9n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 76.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50123604
PNG
(CHEMBL152266 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)c4cccc(Oc5ccccc5)c4)CC3)ccnc2c1
Show InChI InChI=1S/C32H36ClN5O2/c33-26-11-12-29-30(13-16-35-31(29)24-26)34-14-5-17-37-19-21-38(22-20-37)18-6-15-36-32(39)25-7-4-10-28(23-25)40-27-8-2-1-3-9-27/h1-4,7-13,16,23-24H,5-6,14-15,17-22H2,(H,34,35)(H,36,39)
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n/an/a 79n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238364
PNG
(3-(4-(Methoxycarbonyl)phenyl)-4-cyano-5-(isopropyl...)
Show SMILES COC(=O)c1ccc(cc1)-c1c(sc(SC(C)C)c1C#N)C(O)=O
Show InChI InChI=1S/C17H15NO4S2/c1-9(2)23-17-12(8-18)13(14(24-17)15(19)20)10-4-6-11(7-5-10)16(21)22-3/h4-7,9H,1-3H3,(H,19,20)
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n/an/a 85n/an/an/an/a7.5n/a



Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238353
PNG
(3-(4-Chlorophenyl)-4-cyano-5-(isopropylthio)thioph...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO2S2/c1-8(2)20-15-11(7-17)12(13(21-15)14(18)19)9-3-5-10(16)6-4-9/h3-6,8H,1-2H3,(H,18,19)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139457
PNG
(CHEMBL3765006)
Show SMILES CCOC(=O)c1sc(NCc2cncn2Cc2ccc(cc2)C#N)c(C#N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20ClN5O2S/c1-2-34-26(33)24-23(19-7-9-20(27)10-8-19)22(12-29)25(35-24)31-14-21-13-30-16-32(21)15-18-5-3-17(11-28)4-6-18/h3-10,13,16,31H,2,14-15H2,1H3
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n/an/a 130n/an/an/an/an/an/a



CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139466
PNG
(CHEMBL3765154)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)c1sc(NCc2cncn2Cc2ccc(cc2)C#N)c(C#N)c1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H27ClN6O3S2/c1-40-30(39)25(11-12-41-2)36-28(38)27-26(21-7-9-22(31)10-8-21)24(14-33)29(42-27)35-16-23-15-34-18-37(23)17-20-5-3-19(13-32)4-6-20/h3-10,15,18,25,35H,11-12,16-17H2,1-2H3,(H,36,38)/t25-/m0/s1
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CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50059863
PNG
((Z)-2-Methyl-3-tetradecyl-but-2-enedioic acid | CH...)
Show SMILES CCCCCCCCCCCCCC\C(C(O)=O)=C(/C)C(O)=O
Show InChI InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/b17-16-
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n/an/a 175n/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FTase by fluorescent-based assay


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238367
PNG
(3-(4-Tolyl)-4-cyano-5-(isopropylthio)thiophene-2-c...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15NO2S2/c1-9(2)20-16-12(8-17)13(14(21-16)15(18)19)11-6-4-10(3)5-7-11/h4-7,9H,1-3H3,(H,18,19)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139468
PNG
(CHEMBL3763857)
Show SMILES CCOC(=O)c1sc(NCc2cncn2Cc2ccc(cc2)[N+]([O-])=O)c(C#N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20ClN5O4S/c1-2-35-25(32)23-22(17-5-7-18(26)8-6-17)21(11-27)24(36-23)29-13-20-12-28-15-30(20)14-16-3-9-19(10-4-16)31(33)34/h3-10,12,15,29H,2,13-14H2,1H3
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CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r|
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FTase by fluorescent-based assay


Bioorg Med Chem 18: 543-56 (2010)


Article DOI: 10.1016/j.bmc.2009.12.017
BindingDB Entry DOI: 10.7270/Q2VM4G37
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238361
PNG
(3-(4-Methoxyphenyl)-4-cyano-5-(isopropylthio)thiop...)
Show SMILES COc1ccc(cc1)-c1c(sc(SC(C)C)c1C#N)C(O)=O
Show InChI InChI=1S/C16H15NO3S2/c1-9(2)21-16-12(8-17)13(14(22-16)15(18)19)10-4-6-11(20-3)7-5-10/h4-7,9H,1-3H3,(H,18,19)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238356
PNG
(3-(4-Fluorophenyl)-4-cyano-5-(isopropylthio)thioph...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO2S2/c1-8(2)20-15-11(7-17)12(13(21-15)14(18)19)9-3-5-10(16)6-4-9/h3-6,8H,1-2H3,(H,18,19)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139472
PNG
(CHEMBL3763746)
Show SMILES CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(cc2)C#N)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN5O4S/c1-5-40-29(38)27-26(22-10-12-23(32)13-11-22)25(15-34)28(42-27)37(30(39)41-31(2,3)4)18-24-16-35-19-36(24)17-21-8-6-20(14-33)7-9-21/h6-13,16,19H,5,17-18H2,1-4H3
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CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238371
PNG
(3-(2-Naphthyl)-4-cyano-5-(isopropylthio)thiophene-...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO2S2/c1-11(2)23-19-15(10-20)16(17(24-19)18(21)22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,1-2H3,(H,21,22)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139477
PNG
(CHEMBL3765776)
Show SMILES CCOC(=O)c1sc(N(Cc2cn(Cc3ccc(cc3)C#N)cn2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN5O4S/c1-5-40-29(38)27-26(22-10-12-23(32)13-11-22)25(15-34)28(42-27)37(30(39)41-31(2,3)4)18-24-17-36(19-35-24)16-21-8-6-20(14-33)7-9-21/h6-13,17,19H,5,16,18H2,1-4H3
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CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238374
PNG
(3-(3-Thienyl)-4-cyano-5-(isopropylthio)thiophene-2...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(Sc2ccsc2)c1C#N
Show InChI InChI=1S/C13H11NO2S4/c1-7(2)18-13-9(5-14)10(11(20-13)12(15)16)19-8-3-4-17-6-8/h3-4,6-7H,1-2H3,(H,15,16)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139458
PNG
(CHEMBL3764994)
Show SMILES Clc1ccc(cc1)-c1csc(NCc2cncn2Cc2ccc(cc2)C#N)c1C#N
Show InChI InChI=1S/C23H16ClN5S/c24-19-7-5-18(6-8-19)22-14-30-23(21(22)10-26)28-12-20-11-27-15-29(20)13-17-3-1-16(9-25)2-4-17/h1-8,11,14-15,28H,12-13H2
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CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139478
PNG
(CHEMBL3764593)
Show SMILES CC(C)(C)OC(=O)N(Cc1cn(Cc2ccc(cc2)C#N)cn1)c1sc(C(O)=O)c(c1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24ClN5O4S/c1-29(2,3)39-28(38)35(16-22-15-34(17-33-22)14-19-6-4-18(12-31)5-7-19)26-23(13-32)24(25(40-26)27(36)37)20-8-10-21(30)11-9-20/h4-11,15,17H,14,16H2,1-3H3,(H,36,37)
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CNRS UPR2301

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay


Eur J Med Chem 109: 173-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.045
BindingDB Entry DOI: 10.7270/Q25B04C6
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238357
PNG
(3-(3-Fluorophenyl)-4-cyano-5-(isopropylthio)thioph...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1cccc(F)c1
Show InChI InChI=1S/C15H12FNO2S2/c1-8(2)20-15-11(7-17)12(13(21-15)14(18)19)9-4-3-5-10(16)6-9/h3-6,8H,1-2H3,(H,18,19)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Saccharomyces cerevisiae (Baker's yeast))
BDBM238359
PNG
(3-(4-(Trifluoromethyl)phenyl)-4-cyano-5-(isopropyl...)
Show SMILES CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2S2/c1-8(2)23-15-11(7-20)12(13(24-15)14(21)22)9-3-5-10(6-4-9)16(17,18)19/h3-6,8H,1-2H3,(H,21,22)
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Centre de Recherche de Gif



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...


J Enzyme Inhib Med Chem 28: 163-71 (2013)


Article DOI: 10.3109/14756366.2011.643302
BindingDB Entry DOI: 10.7270/Q2319TSJ
More data for this
Ligand-Target Pair
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