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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50029768   
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))
BDBM50287709
PNG
((E)-3-Carboxy-2-(16-sulfooxy-hexadecyl)-pent-2-ene...)
Show SMILES OC(=O)C\C(C(O)=O)=C(\CCCCCCCCCCCCCCCCOS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C22H38O10S/c23-20(24)17-19(22(27)28)18(21(25)26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-32-33(29,30)31/h1-17H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/b19-18+
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Article
4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Protein farnesyltransferase with respect to FPP


Bioorg Med Chem Lett 6: 2081-2084 (1996)


Article DOI: 10.1016/0960-894X(96)00372-1
BindingDB Entry DOI: 10.7270/Q2222TQ1
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50287707
PNG
((E)-3-Carboxy-2-(16-hydroxy-hexadecyl)-pent-2-ened...)
Show SMILES OCCCCCCCCCCCCCCCC\C(C(O)=O)=C(\CC(O)=O)C(O)=O
Show InChI InChI=1S/C22H38O7/c23-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(21(26)27)19(22(28)29)17-20(24)25/h23H,1-17H2,(H,24,25)(H,26,27)(H,28,29)/b19-18+
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Article
n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Protein farnesyltransferase


Bioorg Med Chem Lett 6: 2081-2084 (1996)


Article DOI: 10.1016/0960-894X(96)00372-1
BindingDB Entry DOI: 10.7270/Q2222TQ1
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50287708
PNG
((E)-3-Methoxycarbonyl-2-(16-sulfooxy-hexadecyl)-pe...)
Show SMILES COC(=O)C\C(C(=O)OC)=C(\CCCCCCCCCCCCCCCCOS(O)(=O)=O)C(=O)OC
Show InChI InChI=1S/C25H44O10S/c1-32-23(26)20-22(25(28)34-3)21(24(27)33-2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-35-36(29,30)31/h4-20H2,1-3H3,(H,29,30,31)/b22-21+
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Article
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Protein farnesyltransferase


Bioorg Med Chem Lett 6: 2081-2084 (1996)


Article DOI: 10.1016/0960-894X(96)00372-1
BindingDB Entry DOI: 10.7270/Q2222TQ1
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50287709
PNG
((E)-3-Carboxy-2-(16-sulfooxy-hexadecyl)-pent-2-ene...)
Show SMILES OC(=O)C\C(C(O)=O)=C(\CCCCCCCCCCCCCCCCOS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C22H38O10S/c23-20(24)17-19(22(27)28)18(21(25)26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-32-33(29,30)31/h1-17H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/b19-18+
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Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Protein farnesyltransferase


Bioorg Med Chem Lett 6: 2081-2084 (1996)


Article DOI: 10.1016/0960-894X(96)00372-1
BindingDB Entry DOI: 10.7270/Q2222TQ1
More data for this
Ligand-Target Pair