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Compile Data Set for Download or QSAR

Found 138 hits from Eisai Research Institute   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50246899
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079813
PNG
(2-[1-[5-amino-6-sulfanyl-(5R)-hexanoyl]-4-phenoxy-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)CCC[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H33N3O5S2/c1-32-11-10-18(22(28)29)24-21(27)19-12-17(30-16-7-3-2-4-8-16)13-25(19)20(26)9-5-6-15(23)14-31/h2-4,7-8,15,17-19,31H,5-6,9-14,23H2,1H3,(H,24,27)(H,28,29)/t15-,17+,18+,19+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079803
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37N3O5S2/c1-16(2)20(10-9-17(26)15-34)24(30)28-14-19(33-18-7-5-4-6-8-18)13-22(28)23(29)27-21(25(31)32)11-12-35-3/h4-10,16-17,19-22,34H,11-15,26H2,1-3H3,(H,27,29)(H,31,32)/b10-9+/t17-,19+,20-,21+,22+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM17762
PNG
(3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...)
Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)
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n/an/a 15n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079810
PNG
(2-[1-[5-amino-2-isopropyl-6-sulfanyl-(2S,3E,5R)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H39N3O4S2/c1-17(2)18(9-10-19(26)16-33)14-28-15-21(32-20-7-5-4-6-8-20)13-23(28)24(29)27-22(25(30)31)11-12-34-3/h4-10,17-19,21-23,33H,11-16,26H2,1-3H3,(H,27,29)(H,30,31)/b10-9+/t18-,19+,21-,22-,23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079803
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37N3O5S2/c1-16(2)20(10-9-17(26)15-34)24(30)28-14-19(33-18-7-5-4-6-8-18)13-22(28)23(29)27-21(25(31)32)11-12-35-3/h4-10,16-17,19-22,34H,11-15,26H2,1-3H3,(H,27,29)(H,31,32)/b10-9+/t17-,19+,20-,21+,22+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079793
PNG
(2-[1-[5-amino-6-sulfanyl-(E,5R)-3-hexenyl]-4-pheno...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1CC\C=C\[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H33N3O4S2/c1-31-12-10-19(22(27)28)24-21(26)20-13-18(29-17-8-3-2-4-9-17)14-25(20)11-6-5-7-16(23)15-30/h2-5,7-9,16,18-20,30H,6,10-15,23H2,1H3,(H,24,26)(H,27,28)/b7-5+/t16-,18+,19+,20+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079786
PNG
(2-[1-[5-amino-6-sulfanyl-(5R)-hexyl]-4-phenoxy-(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1CCCC[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H35N3O4S2/c1-31-12-10-19(22(27)28)24-21(26)20-13-18(29-17-8-3-2-4-9-17)14-25(20)11-6-5-7-16(23)15-30/h2-4,8-9,16,18-20,30H,5-7,10-15,23H2,1H3,(H,24,26)(H,27,28)/t16-,18+,19+,20+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332228
PNG
(1-(3-Carboxyphenyl)-3-(2-mercapto-ethyl)-1H-indole...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332217
PNG
(1-[(2-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccccc1C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-6-2-1-5-12(13)11-20-16-8-4-3-7-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332218
PNG
(1-[(3-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-5-3-4-12(10-13)11-20-16-7-2-1-6-14(16)15(8-9-25)17(20)19(23)24/h1-7,10,25H,8-9,11H2,(H,21,22)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332221
PNG
(1-[[3-carboxy-5-(1,1-dimethylethyl)phenyl]methyl]-...)
Show SMILES CC(C)(C)c1cc(Cn2c(C(O)=O)c(CCS)c3ccccc23)cc(c1)C(O)=O
Show InChI InChI=1S/C23H25NO4S/c1-23(2,3)16-11-14(10-15(12-16)21(25)26)13-24-19-7-5-4-6-17(19)18(8-9-29)20(24)22(27)28/h4-7,10-12,29H,8-9,13H2,1-3H3,(H,25,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079804
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-p...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35N3O4S2/c1-36-15-13-24(27(32)33)29-26(31)25-16-23(17-30(25)14-5-8-21(28)18-35)34-22-11-9-20(10-12-22)19-6-3-2-4-7-19/h2-12,21,23-25,35H,13-18,28H2,1H3,(H,29,31)(H,32,33)/b8-5+/t21-,23+,24+,25+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50079787
PNG
(CHEMBL303859 | methyl 2-[1-[5-amino-2-isopropyl-6-...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1
Show InChI InChI=1S/C26H41N3O4S2/c1-18(2)19(10-11-20(27)17-34)15-29-16-22(33-21-8-6-5-7-9-21)14-24(29)25(30)28-23(12-13-35-4)26(31)32-3/h5-11,18-20,22-24,34H,12-17,27H2,1-4H3,(H,28,30)/b11-10+/t19-,20+,22-,23-,24-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079809
PNG
((S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1cccc2CCCCc12)C(O)=O
Show InChI InChI=1S/C25H37N3O4S2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23/h4-5,7-8,10,18-19,21-22,33H,2-3,6,9,11-16,26H2,1H3,(H,27,29)(H,30,31)/b8-5+/t18-,19+,21+,22+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50403711
PNG
(CHEMBL2092855)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O4S2/c1-30-11-9-18(21(26)27)23-20(25)19-12-17(28-16-7-3-2-4-8-16)13-24(19)10-5-6-15(22)14-29/h2-8,15,17-19,29H,9-14,22H2,1H3,(H,23,25)(H,26,27)/b6-5+/t15-,17+,18-,19+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332220
PNG
(1-[(2-bromo-5-carboxyphenyl)methyl]-3-(2-mercaptoe...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cc(ccc1Br)C(O)=O
Show InChI InChI=1S/C19H16BrNO4S/c20-15-6-5-11(18(22)23)9-12(15)10-21-16-4-2-1-3-13(16)14(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50403711
PNG
(CHEMBL2092855)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O4S2/c1-30-11-9-18(21(26)27)23-20(25)19-12-17(28-16-7-3-2-4-8-16)13-24(19)10-5-6-15(22)14-29/h2-8,15,17-19,29H,9-14,22H2,1H3,(H,23,25)(H,26,27)/b6-5+/t15-,17+,18-,19+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens)
BDBM50175652
PNG
(CHEMBL200667 | Dodecanoic acid (S)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46-,47?/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at human TLR4 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.080
BindingDB Entry DOI: 10.7270/Q2M9087R
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079811
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-i...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C24H37N3O4S2/c1-16(2)17-6-8-19(9-7-17)31-20-13-22(27(14-20)11-4-5-18(25)15-32)23(28)26-21(24(29)30)10-12-33-3/h4-9,16,18,20-22,32H,10-15,25H2,1-3H3,(H,26,28)(H,29,30)/b5-4+/t18-,20+,21+,22+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079792
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-b...)
Show SMILES CCCCc1ccc(O[C@H]2C[C@H](N(C\C=C\[C@@H](N)CS)C2)C(=O)N[C@@H](CCSC)C(O)=O)cc1
Show InChI InChI=1S/C25H39N3O4S2/c1-3-4-6-18-8-10-20(11-9-18)32-21-15-23(28(16-21)13-5-7-19(26)17-33)24(29)27-22(25(30)31)12-14-34-2/h5,7-11,19,21-23,33H,3-4,6,12-17,26H2,1-2H3,(H,27,29)(H,30,31)/b7-5+/t19-,21+,22+,23+/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079809
PNG
((S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1cccc2CCCCc12)C(O)=O
Show InChI InChI=1S/C25H37N3O4S2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23/h4-5,7-8,10,18-19,21-22,33H,2-3,6,9,11-16,26H2,1H3,(H,27,29)(H,30,31)/b8-5+/t18-,19+,21+,22+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM17755
PNG
(2-(3-sulfanylpropyl)pentanedioic acid | 2-MPPA | C...)
Show SMILES OC(=O)CCC(CCCS)C(O)=O
Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332223
PNG
(1-[(2-carboxy-5-methoxyphenyl)methyl]-3-(2-mercapt...)
Show SMILES COc1ccc(C(O)=O)c(Cn2c(C(O)=O)c(CCS)c3ccccc23)c1
Show InChI InChI=1S/C20H19NO5S/c1-26-13-6-7-14(19(22)23)12(10-13)11-21-17-5-3-2-4-15(17)16(8-9-27)18(21)20(24)25/h2-7,10,27H,8-9,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 93n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332219
PNG
(1-[(4-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-7-5-12(6-8-13)11-20-16-4-2-1-3-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)
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n/an/a 94n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50216999
PNG
(CHEMBL3349357)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\C(N)CS)Oc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/b8-5+;;/t18?,19-,21-,22-;;/m0../s1
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n/an/a 100n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079813
PNG
(2-[1-[5-amino-6-sulfanyl-(5R)-hexanoyl]-4-phenoxy-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)CCC[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H33N3O5S2/c1-32-11-10-18(22(28)29)24-21(27)19-12-17(30-16-7-3-2-4-8-16)13-25(19)20(26)9-5-6-15(23)14-31/h2-4,7-8,15,17-19,31H,5-6,9-14,23H2,1H3,(H,24,27)(H,28,29)/t15-,17+,18+,19+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079794
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-t...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C22H30F3N3O4S2/c1-34-10-8-18(21(30)31)27-20(29)19-11-17(12-28(19)9-2-3-15(26)13-33)32-16-6-4-14(5-7-16)22(23,24)25/h2-7,15,17-19,33H,8-13,26H2,1H3,(H,27,29)(H,30,31)/b3-2+/t15-,17+,18+,19+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079794
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-t...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C22H30F3N3O4S2/c1-34-10-8-18(21(30)31)27-20(29)19-11-17(12-28(19)9-2-3-15(26)13-33)32-16-6-4-14(5-7-16)22(23,24)25/h2-7,15,17-19,33H,8-13,26H2,1H3,(H,27,29)(H,30,31)/b3-2+/t15-,17+,18+,19+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332222
PNG
(1-[(4-bromo-3-carboxyphenyl)methyl]-3-(2-mercaptoe...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccc(Br)c(c1)C(O)=O
Show InChI InChI=1S/C19H16BrNO4S/c20-15-6-5-11(9-14(15)18(22)23)10-21-16-4-2-1-3-12(16)13(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079810
PNG
(2-[1-[5-amino-2-isopropyl-6-sulfanyl-(2S,3E,5R)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H39N3O4S2/c1-17(2)18(9-10-19(26)16-33)14-28-15-21(32-20-7-5-4-6-8-20)13-23(28)24(29)27-22(25(30)31)11-12-34-3/h4-10,17-19,21-23,33H,11-16,26H2,1-3H3,(H,27,29)(H,30,31)/b10-9+/t18-,19+,21-,22-,23-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens)
BDBM50175656
PNG
(CHEMBL200398 | Dodecanoic acid (S)-1-{2-[(R)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46+,47?/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at human TLR4 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.080
BindingDB Entry DOI: 10.7270/Q2M9087R
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079806
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(2-p...)
Show SMILES CCCc1ccccc1O[C@H]1C[C@H](N(C\C=C\[C@@H](N)CS)C1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C24H37N3O4S2/c1-3-7-17-8-4-5-10-22(17)31-19-14-21(27(15-19)12-6-9-18(25)16-32)23(28)26-20(24(29)30)11-13-33-2/h4-6,8-10,18-21,32H,3,7,11-16,25H2,1-2H3,(H,26,28)(H,29,30)/b9-6+/t18-,19+,20+,21+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079792
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-b...)
Show SMILES CCCCc1ccc(O[C@H]2C[C@H](N(C\C=C\[C@@H](N)CS)C2)C(=O)N[C@@H](CCSC)C(O)=O)cc1
Show InChI InChI=1S/C25H39N3O4S2/c1-3-4-6-18-8-10-20(11-9-18)32-21-15-23(28(16-21)13-5-7-19(26)17-33)24(29)27-22(25(30)31)12-14-34-2/h5,7-11,19,21-23,33H,3-4,6,12-17,26H2,1-2H3,(H,27,29)(H,30,31)/b7-5+/t19-,21+,22+,23+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50216999
PNG
(CHEMBL3349357)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\C(N)CS)Oc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/b8-5+;;/t18?,19-,21-,22-;;/m0../s1
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n/an/a 200n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079811
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-i...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C24H37N3O4S2/c1-16(2)17-6-8-19(9-7-17)31-20-13-22(27(14-20)11-4-5-18(25)15-32)23(28)26-21(24(29)30)10-12-33-3/h4-9,16,18,20-22,32H,10-15,25H2,1-3H3,(H,26,28)(H,29,30)/b5-4+/t18-,20+,21+,22+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079806
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(2-p...)
Show SMILES CCCc1ccccc1O[C@H]1C[C@H](N(C\C=C\[C@@H](N)CS)C1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C24H37N3O4S2/c1-3-7-17-8-4-5-10-22(17)31-19-14-21(27(15-19)12-6-9-18(25)16-32)23(28)26-20(24(29)30)11-13-33-2/h4-6,8-10,18-21,32H,3,7,11-16,25H2,1-2H3,(H,26,28)(H,29,30)/b9-6+/t18-,19+,20+,21+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens)
BDBM50175653
PNG
(CHEMBL200140 | Dodecanoic acid (R)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46+,47?/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at human TLR4 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.080
BindingDB Entry DOI: 10.7270/Q2M9087R
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079804
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-p...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35N3O4S2/c1-36-15-13-24(27(32)33)29-26(31)25-16-23(17-30(25)14-5-8-21(28)18-35)34-22-11-9-20(10-12-22)19-6-3-2-4-7-19/h2-12,21,23-25,35H,13-18,28H2,1H3,(H,29,31)(H,32,33)/b8-5+/t21-,23+,24+,25+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens)
BDBM50175651
PNG
(CHEMBL382272 | Dodecanoic acid (R)-1-{2-[(R)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46-,47?/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at human TLR4 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.080
BindingDB Entry DOI: 10.7270/Q2M9087R
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50079805
PNG
(CHEMBL302834 | methyl 2-[1-[5-amino-6-sulfanyl-(5R...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1CCCC[C@@H](N)CS)Oc1ccccc1
Show InChI InChI=1S/C23H37N3O4S2/c1-29-23(28)20(11-13-32-2)25-22(27)21-14-19(30-18-9-4-3-5-10-18)15-26(21)12-7-6-8-17(24)16-31/h3-5,9-10,17,19-21,31H,6-8,11-16,24H2,1-2H3,(H,25,27)/t17-,19+,20+,21+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50366603
PNG
(CHEMBL1793799 | CHEMBL3349310)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(O[C@H]2C[C@@H](N(C\C=C\[C@@H](N)CS)C2)C(=O)N[C@H](CCSC)C(O)=O)cc1OC
Show InChI InChI=1S/C23H35N3O6S2/c1-30-20-7-6-16(12-21(20)31-2)32-17-11-19(26(13-17)9-4-5-15(24)14-33)22(27)25-18(23(28)29)8-10-34-3/h4-7,12,15,17-19,33H,8-11,13-14,24H2,1-3H3,(H,25,27)(H,28,29)/t15-,17+,18-,19-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50079785
PNG
(CHEMBL433102 | methyl 2-[1-[5-amino-6-sulfanyl-(E,...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1CC\C=C\[C@@H](N)CS)Oc1ccccc1
Show InChI InChI=1S/C23H35N3O4S2/c1-29-23(28)20(11-13-32-2)25-22(27)21-14-19(30-18-9-4-3-5-10-18)15-26(21)12-7-6-8-17(24)16-31/h3-6,8-10,17,19-21,31H,7,11-16,24H2,1-2H3,(H,25,27)/b8-6+/t17-,19+,20+,21+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079793
PNG
(2-[1-[5-amino-6-sulfanyl-(E,5R)-3-hexenyl]-4-pheno...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1CC\C=C\[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H33N3O4S2/c1-31-12-10-19(22(27)28)24-21(26)20-13-18(29-17-8-3-2-4-9-17)14-25(20)11-6-5-7-16(23)15-30/h2-5,7-9,16,18-20,30H,6,10-15,23H2,1H3,(H,24,26)(H,27,28)/b7-5+/t16-,18+,19+,20+/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50079790
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1
Show InChI InChI=1S/C26H39N3O5S2/c1-17(2)21(11-10-18(27)16-35)25(31)29-15-20(34-19-8-6-5-7-9-19)14-23(29)24(30)28-22(12-13-36-4)26(32)33-3/h5-11,17-18,20-23,35H,12-16,27H2,1-4H3,(H,28,30)/b11-10+/t18-,20+,21-,22+,23+/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


Article DOI: 10.1016/s0960-894x(99)00342-x
BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50175650
PNG
(CHEMBL383597 | Dodecanoic acid (R)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O)C(=O)NCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C51H90N3O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-47(56)54-46(41-65-67(62,63)64-39-38-53-49(58)45(51(60)61)40-42-32-34-43(55)35-33-42)50(59)52-37-36-44(29-26-23-12-9-6-3)66-48(57)31-28-25-22-19-16-14-11-8-5-2/h32-35,44-46,55H,4-31,36-41H2,1-3H3,(H,52,59)(H,53,58)(H,54,56)(H,60,61)(H,62,63)/t44-,45?,46+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.080
BindingDB Entry DOI: 10.7270/Q2M9087R
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50175655
PNG
(CHEMBL372577 | Dodecanoic acid (R)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O)C(=O)OCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C51H89N2O13P/c1-4-7-10-13-15-17-18-20-21-24-27-30-47(55)53-46(41-65-67(61,62)64-39-37-52-49(57)45(50(58)59)40-42-32-34-43(54)35-33-42)51(60)63-38-36-44(29-26-23-12-9-6-3)66-48(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44-46,54H,4-31,36-41H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,61,62)/t44-,45?,46+/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.080
BindingDB Entry DOI: 10.7270/Q2M9087R
More data for this
Ligand-Target Pair
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