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PubMed code 11714612

Compile data set for download or QSAR
Found 19 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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106862
PNG
(CHEMBL322890 | [1-(3-Benzo[1,3]dioxol-5-ylmethyl-3...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H28N4O4/c36-31(34-10-12-37-13-11-34)28-19-33(18-27(28)26-7-3-5-23-4-1-2-6-25(23)26)17-24-15-32-20-35(24)16-22-8-9-29-30(14-22)39-21-38-29/h1-9,14-15,18-20H,10-13,16-17,21H2
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n/an/a 0.900n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106864
PNG
((1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazo...)
Show SMILES CN1CCN(CC1)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C32H31N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21H,11-14,17-18,22H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106865
PNG
(1-(3-Benzo[1,3]dioxol-5-ylmethyl-3H-imidazol-4-ylm...)
Show SMILES COCCN(C)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H30N4O4/c1-33(12-13-37-2)31(36)28-19-34(18-27(28)26-9-5-7-23-6-3-4-8-25(23)26)17-24-15-32-20-35(24)16-22-10-11-29-30(14-22)39-21-38-29/h3-11,14-15,18-20H,12-13,16-17,21H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106869
PNG
(CHEMBL102435 | [1-(3-Benzyl-3H-imidazol-4-ylmethyl...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cncn2Cc2ccccc2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C30H28N4O2/c35-30(33-13-15-36-16-14-33)29-21-32(19-25-17-31-22-34(25)18-23-7-2-1-3-8-23)20-28(29)27-12-6-10-24-9-4-5-11-26(24)27/h1-12,17,20-22H,13-16,18-19H2
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n/an/a 1.5n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106862
PNG
(CHEMBL322890 | [1-(3-Benzo[1,3]dioxol-5-ylmethyl-3...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H28N4O4/c36-31(34-10-12-37-13-11-34)28-19-33(18-27(28)26-7-3-5-23-4-1-2-6-25(23)26)17-24-15-32-20-35(24)16-22-8-9-29-30(14-22)39-21-38-29/h1-9,14-15,18-20H,10-13,16-17,21H2
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n/an/a 2n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against K-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106869
PNG
(CHEMBL102435 | [1-(3-Benzyl-3H-imidazol-4-ylmethyl...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cncn2Cc2ccccc2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C30H28N4O2/c35-30(33-13-15-36-16-14-33)29-21-32(19-25-17-31-22-34(25)18-23-7-2-1-3-8-23)20-28(29)27-12-6-10-24-9-4-5-11-26(24)27/h1-12,17,20-22H,13-16,18-19H2
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n/an/a 2.10n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against K-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106864
PNG
((1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazo...)
Show SMILES CN1CCN(CC1)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C32H31N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21H,11-14,17-18,22H2,1H3
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n/an/a 2.40n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against K-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106866
PNG
(CHEMBL103387 | [1-(3-Methyl-3H-imidazol-4-ylmethyl...)
Show SMILES Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4O2/c1-26-17-25-13-19(26)14-27-15-22(21-8-4-6-18-5-2-3-7-20(18)21)23(16-27)24(29)28-9-11-30-12-10-28/h2-8,13,15-17H,9-12,14H2,1H3
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n/an/a 3n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106865
PNG
(1-(3-Benzo[1,3]dioxol-5-ylmethyl-3H-imidazol-4-ylm...)
Show SMILES COCCN(C)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H30N4O4/c1-33(12-13-37-2)31(36)28-19-34(18-27(28)26-9-5-7-23-6-3-4-8-25(23)26)17-24-15-32-20-35(24)16-22-10-11-29-30(14-22)39-21-38-29/h3-11,14-15,18-20H,12-13,16-17,21H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against K-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106863
PNG
(CHEMBL432008 | [1-(3H-Imidazol-4-ylmethyl)-4-napht...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cnc[nH]2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O2/c28-23(27-8-10-29-11-9-27)22-15-26(13-18-12-24-16-25-18)14-21(22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,12,14-16H,8-11,13H2,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106866
PNG
(CHEMBL103387 | [1-(3-Methyl-3H-imidazol-4-ylmethyl...)
Show SMILES Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4O2/c1-26-17-25-13-19(26)14-27-15-22(21-8-4-6-18-5-2-3-7-20(18)21)23(16-27)24(29)28-9-11-30-12-10-28/h2-8,13,15-17H,9-12,14H2,1H3
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n/an/a 100n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against K-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106861
PNG
(1-(3H-Imidazol-4-ylmethyl)-4-naphthalen-1-yl-1H-py...)
Show SMILES CCOC(=O)c1cn(Cc2cnc[nH]2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C21H19N3O2/c1-2-26-21(25)20-13-24(11-16-10-22-14-23-16)12-19(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-10,12-14H,2,11H2,1H3,(H,22,23)
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n/an/a 500n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106868
PNG
(CHEMBL323114 | [1-(3H-Imidazol-4-ylmethyl)-4-napht...)
Show SMILES O=C(N1CCCCC1)c1cn(Cc2cnc[nH]2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4O/c29-24(28-11-4-1-5-12-28)23-16-27(14-19-13-25-17-26-19)15-22(23)21-10-6-8-18-7-2-3-9-20(18)21/h2-3,6-10,13,15-17H,1,4-5,11-12,14H2,(H,25,26)
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n/an/a 720n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106863
PNG
(CHEMBL432008 | [1-(3H-Imidazol-4-ylmethyl)-4-napht...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cnc[nH]2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O2/c28-23(27-8-10-29-11-9-27)22-15-26(13-18-12-24-16-25-18)14-21(22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,12,14-16H,8-11,13H2,(H,24,25)
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n/an/a 1.83E+3n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against K-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106867
PNG
(CHEMBL318072 | [1-(3H-Imidazol-4-ylmethyl)-4-pheny...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cnc[nH]2)cc1-c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c24-19(23-6-8-25-9-7-23)18-13-22(11-16-10-20-14-21-16)12-17(18)15-4-2-1-3-5-15/h1-5,10,12-14H,6-9,11H2,(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity against H-Ras


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106865
PNG
(1-(3-Benzo[1,3]dioxol-5-ylmethyl-3H-imidazol-4-ylm...)
Show SMILES COCCN(C)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H30N4O4/c1-33(12-13-37-2)31(36)28-19-34(18-27(28)26-9-5-7-23-6-3-4-8-25(23)26)17-24-15-32-20-35(24)16-22-10-11-29-30(14-22)39-21-38-29/h3-11,14-15,18-20H,12-13,16-17,21H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106862
PNG
(CHEMBL322890 | [1-(3-Benzo[1,3]dioxol-5-ylmethyl-3...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H28N4O4/c36-31(34-10-12-37-13-11-34)28-19-33(18-27(28)26-7-3-5-23-4-1-2-6-25(23)26)17-24-15-32-20-35(24)16-22-8-9-29-30(14-22)39-21-38-29/h1-9,14-15,18-20H,10-13,16-17,21H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106864
PNG
((1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazo...)
Show SMILES CN1CCN(CC1)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C32H31N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21H,11-14,17-18,22H2,1H3
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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50106866
PNG
(CHEMBL103387 | [1-(3-Methyl-3H-imidazol-4-ylmethyl...)
Show SMILES Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4O2/c1-26-17-25-13-19(26)14-27-15-22(21-8-4-6-18-5-2-3-7-20(18)21)23(16-27)24(29)28-9-11-30-12-10-28/h2-8,13,15-17H,9-12,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%