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Compile Data Set for Download or QSAR

Found 287 hits Enz. Inhib. hit(s) with Target = 'Isoprenylcysteine carboxyl methyltransferase'   
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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES C1CC(CCO1)=C(c1cccs1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
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 1.10E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using increasing AFC substr...

Medchemcomm 7: 1016-1021 (2016)


Article DOI: 10.1039/c6md00130k
BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Rattus norvegicus)		BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccccc1C(O)=O
Show InChI InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
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 2.80E+3n/an/an/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Ability to inhibit prenylated protein methyltransferase (PPMTase) in cell free systems

J Med Chem 38: 1267-72 (1995)


Article DOI: 10.1021/jm00008a004
BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES C1CC(CCO1)=C(c1cccs1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
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 2.90E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes with increasing [14C]-S...

Medchemcomm 7: 1016-1021 (2016)


Article DOI: 10.1039/c6md00130k
BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)		BDBM50174225
PNG
(((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylsul...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSCC([O-])=O
Show InChI InChI=1S/C17H28O2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-13-17(18)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)/p-1/b15-9+,16-11+
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 4.60E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase

Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Rattus norvegicus)		BDBM50034280
PNG
(2-Chloro-5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CNc1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C22H30ClNO2/c1-16(2)7-5-8-17(3)9-6-10-18(4)13-14-24-19-11-12-21(23)20(15-19)22(25)26/h7,9,11-13,15,24H,5-6,8,10,14H2,1-4H3,(H,25,26)/b17-9+,18-13+
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 8.00E+3n/an/an/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Ability to inhibit prenylated protein methyltransferase (PPMTase) in cell free systems

J Med Chem 38: 1267-72 (1995)


Article DOI: 10.1021/jm00008a004
BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Rattus norvegicus)		BDBM50034277
PNG
(CHEMBL23289 | Thioacetic acid S-((2E,6E)-3,7,11-tr...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC(C)=O
Show InChI InChI=1S/C17H28OS/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
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 8.10E+3n/an/an/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Ability to inhibit prenylated protein methyltransferase (PPMTase) in cell free systems

J Med Chem 38: 1267-72 (1995)


Article DOI: 10.1021/jm00008a004
BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)		BDBM50174226
PNG
(2-acetamido-3-[(2E,6E,10E)-3,7,11,15-tetramethylhe...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CS(=O)CC(NC(C)=O)C([O-])=O
Show InChI InChI=1S/C25H41NO4S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-31(30)18-24(25(28)29)26-23(6)27/h10,12,14,16,24H,7-9,11,13,15,17-18H2,1-6H3,(H,26,27)(H,28,29)/p-1/b20-12+,21-14+,22-16+
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 1.32E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase

Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Rattus norvegicus)		BDBM50034276
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyl-...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ncccc1C(O)=O
Show InChI InChI=1S/C21H29NO2S/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-15-25-20-19(21(23)24)12-7-14-22-20/h7-8,10,12-14H,5-6,9,11,15H2,1-4H3,(H,23,24)/b17-10+,18-13+
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 1.49E+4n/an/an/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Ability to inhibit prenylated protein methyltransferase (PPMTase) in cell free systems

J Med Chem 38: 1267-72 (1995)


Article DOI: 10.1021/jm00008a004
BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)		BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(CC=C(C)C)=C\CSC[C@H](NC(C)=O)C([O-])=O
Show InChI InChI=1S/C24H39NO3S/c1-18(2)9-7-10-20(5)11-8-12-22(14-13-19(3)4)15-16-29-17-23(24(27)28)25-21(6)26/h9,11,13,15,23H,7-8,10,12,14,16-17H2,1-6H3,(H,25,26)(H,27,28)/p-1/b20-11+,22-15-/t23-/m0/s1
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 1.71E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase

Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Rattus norvegicus)		BDBM50034279
PNG
(5-Amino-2-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccc(N)cc1C(O)=O
Show InChI InChI=1S/C22H31NO2S/c1-16(2)7-5-8-17(3)9-6-10-18(4)13-14-26-21-12-11-19(23)15-20(21)22(24)25/h7,9,11-13,15H,5-6,8,10,14,23H2,1-4H3,(H,24,25)/b17-9+,18-13+
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 7.28E+4n/an/an/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Ability to inhibit prenylated protein methyltransferase (PPMTase) in cell free systems

J Med Chem 38: 1267-72 (1995)


Article DOI: 10.1021/jm00008a004
BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348075
PNG
(CHEMBL1800705)
Show SMILES COc1cccc(NCCC2(CC(C)(C)OC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3
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n/an/a 1n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348068
PNG
(CHEMBL1800516)
Show SMILES CC1(C)CC(CCNc2cccc(Cl)c2)(CCO1)c1cccs1
Show InChI InChI=1S/C19H24ClNOS/c1-18(2)14-19(9-11-22-18,17-7-4-12-23-17)8-10-21-16-6-3-5-15(20)13-16/h3-7,12-13,21H,8-11,14H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348065
PNG
(CHEMBL1800513)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccc(F)c2)c1
Show InChI InChI=1S/C22H28FNO2/c1-21(2)16-22(11-13-26-21,17-6-4-7-18(23)14-17)10-12-24-19-8-5-9-20(15-19)25-3/h4-9,14-15,24H,10-13,16H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348085
PNG
(CHEMBL1800715)
Show SMILES COc1cccc(NCC[C@]2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3/t22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348074
PNG
(CHEMBL1800522)
Show SMILES CC1(C)CC(CCNc2ccccc2)(CC(C)(C)O1)c1ccccc1
Show InChI InChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348029
PNG
(CHEMBL1800426)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348066
PNG
(CHEMBL1800514)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccs2)c1
Show InChI InChI=1S/C20H27NO2S/c1-19(2)15-20(10-12-23-19,18-8-5-13-24-18)9-11-21-16-6-4-7-17(14-16)22-3/h4-8,13-14,21H,9-12,15H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348051
PNG
(CHEMBL1800498)
Show SMILES CC1(C)CC(CCNc2ccc(F)c(Cl)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-17-8-9-19(23)18(22)14-17/h3-9,14,24H,10-13,15H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348038
PNG
(CHEMBL1800485)
Show SMILES CC1(C)CC(CCNc2cccc(Cl)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26ClNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348054
PNG
(CHEMBL1800501)
Show SMILES CC1(C)CC(CCNc2cccc(c2)[N+]([O-])=O)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-20(2)16-21(12-14-26-20,17-7-4-3-5-8-17)11-13-22-18-9-6-10-19(15-18)23(24)25/h3-10,15,22H,11-14,16H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348020
PNG
(CHEMBL1800417)
Show SMILES Cc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO/c1-18-8-7-11-20(16-18)23-14-12-22(19-9-5-4-6-10-19)13-15-24-21(2,3)17-22/h4-11,16,23H,12-15,17H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348021
PNG
(CHEMBL1800418)
Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29NO/c1-18-9-11-20(12-10-18)23-15-13-22(19-7-5-4-6-8-19)14-16-24-21(2,3)17-22/h4-12,23H,13-17H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348049
PNG
(CHEMBL1800496)
Show SMILES COc1c(F)cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1F
Show InChI InChI=1S/C22H27F2NO2/c1-21(2)15-22(10-12-27-21,16-7-5-4-6-8-16)9-11-25-17-13-18(23)20(26-3)19(24)14-17/h4-8,13-14,25H,9-12,15H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348052
PNG
(CHEMBL1800499)
Show SMILES CC1(C)CC(CCNc2cc(Cl)ccc2F)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-19-14-17(22)8-9-18(19)23/h3-9,14,24H,10-13,15H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348024
PNG
(CHEMBL1800421)
Show SMILES CCc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C23H31NO/c1-4-19-9-8-12-21(17-19)24-15-13-23(20-10-6-5-7-11-20)14-16-25-22(2,3)18-23/h5-12,17,24H,4,13-16,18H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348043
PNG
(CHEMBL1800490)
Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H28ClNO/c1-17-9-10-19(15-20(17)23)24-13-11-22(18-7-5-4-6-8-18)12-14-25-21(2,3)16-22/h4-10,15,24H,11-14,16H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348045
PNG
(CHEMBL1800492)
Show SMILES CC1(C)CC(CCNc2cccc(F)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26FNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348023
PNG
(CHEMBL1800420)
Show SMILES Cc1cc(C)cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C23H31NO/c1-18-14-19(2)16-21(15-18)24-12-10-23(20-8-6-5-7-9-20)11-13-25-22(3,4)17-23/h5-9,14-16,24H,10-13,17H2,1-4H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348037
PNG
(CHEMBL1800483)
Show SMILES CC1(C)CC(CCNc2cccc(c2)C#N)(CCO1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-21(2)17-22(12-14-25-21,19-8-4-3-5-9-19)11-13-24-20-10-6-7-18(15-20)16-23/h3-10,15,24H,11-14,17H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348022
PNG
(CHEMBL1800419)
Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1C
Show InChI InChI=1S/C23H31NO/c1-18-10-11-21(16-19(18)2)24-14-12-23(20-8-6-5-7-9-20)13-15-25-22(3,4)17-23/h5-11,16,24H,12-15,17H2,1-4H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348033
PNG
(CHEMBL1800479)
Show SMILES CC1(C)CC(CCNc2cccc(OC(F)(F)F)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C22H26F3NO2/c1-20(2)16-21(12-14-27-20,17-7-4-3-5-8-17)11-13-26-18-9-6-10-19(15-18)28-22(23,24)25/h3-10,15,26H,11-14,16H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348031
PNG
(CHEMBL1800477)
Show SMILES COc1cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)ccc1C
Show InChI InChI=1S/C23H31NO2/c1-18-10-11-20(16-21(18)25-4)24-14-12-23(19-8-6-5-7-9-19)13-15-26-22(2,3)17-23/h5-11,16,24H,12-15,17H2,1-4H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348064
PNG
(CHEMBL1800512)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H28FNO2/c1-21(2)16-22(12-14-26-21,17-7-9-18(23)10-8-17)11-13-24-19-5-4-6-20(15-19)25-3/h4-10,15,24H,11-14,16H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348004
PNG
(CHEMBL1484316)
Show SMILES CC1(C)CC(CCN(Cc2ccccc2)C(=O)c2ccco2)(CCO1)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c1-26(2)21-27(16-19-31-26,23-12-7-4-8-13-23)15-17-28(20-22-10-5-3-6-11-22)25(29)24-14-9-18-30-24/h3-14,18H,15-17,19-21H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348086
PNG
(CHEMBL1800484)
Show SMILES CC1(C)CC(CCNc2ccc(cc2)C#N)(CCO1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-21(2)17-22(13-15-25-21,19-6-4-3-5-7-19)12-14-24-20-10-8-18(16-23)9-11-20/h3-11,24H,12-15,17H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348035
PNG
(CHEMBL1800481)
Show SMILES CN(C)c1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C23H32N2O/c1-22(2)18-23(14-16-26-22,19-9-6-5-7-10-19)13-15-24-20-11-8-12-21(17-20)25(3)4/h5-12,17,24H,13-16,18H2,1-4H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348026
PNG
(CHEMBL1800423)
Show SMILES CC(C)c1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H33NO/c1-19(2)20-10-12-22(13-11-20)25-16-14-24(21-8-6-5-7-9-21)15-17-26-23(3,4)18-24/h5-13,19,25H,14-18H2,1-4H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348048
PNG
(CHEMBL1800495)
Show SMILES COc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1F
Show InChI InChI=1S/C22H28FNO2/c1-21(2)16-22(12-14-26-21,17-7-5-4-6-8-17)11-13-24-18-9-10-20(25-3)19(23)15-18/h4-10,15,24H,11-14,16H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348025
PNG
(CHEMBL1800422)
Show SMILES CC(C)c1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C24H33NO/c1-19(2)20-9-8-12-22(17-20)25-15-13-24(21-10-6-5-7-11-21)14-16-26-23(3,4)18-24/h5-12,17,19,25H,13-16,18H2,1-4H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348046
PNG
(CHEMBL1800493)
Show SMILES CC1(C)CC(CCNc2ccc(F)cc2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26FNO/c1-20(2)16-21(13-15-24-20,17-6-4-3-5-7-17)12-14-23-19-10-8-18(22)9-11-19/h3-11,23H,12-16H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348040
PNG
(CHEMBL1800487)
Show SMILES CC1(C)CC(CCNc2cc(Cl)cc(Cl)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25Cl2NO/c1-20(2)15-21(9-11-25-20,16-6-4-3-5-7-16)8-10-24-19-13-17(22)12-18(23)14-19/h3-7,12-14,24H,8-11,15H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348041
PNG
(CHEMBL1800488)
Show SMILES CC1(C)CC(CCNc2ccc(Cl)c(Cl)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25Cl2NO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-17-8-9-18(22)19(23)14-17/h3-9,14,24H,10-13,15H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348034
PNG
(CHEMBL1800480)
Show SMILES CC1(C)CC(CCNc2ccc(OC(F)(F)F)cc2)(CCO1)c1ccccc1
Show InChI InChI=1S/C22H26F3NO2/c1-20(2)16-21(13-15-27-20,17-6-4-3-5-7-17)12-14-26-18-8-10-19(11-9-18)28-22(23,24)25/h3-11,26H,12-16H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348063
PNG
(CHEMBL1800511)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H28ClNO2/c1-21(2)16-22(11-13-26-21,17-6-4-7-18(23)14-17)10-12-24-19-8-5-9-20(15-19)25-3/h4-9,14-15,24H,10-13,16H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348084
PNG
(CHEMBL1800714)
Show SMILES COc1cccc(NCC[C@@]2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3/t22-/m0/s1
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348067
PNG
(CHEMBL1800515)
Show SMILES CC1(C)CC(CCNc2ccccc2)(CCO1)c1cccs1
Show InChI InChI=1S/C19H25NOS/c1-18(2)15-19(11-13-21-18,17-9-6-14-22-17)10-12-20-16-7-4-3-5-8-16/h3-9,14,20H,10-13,15H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348030
PNG
(CHEMBL1800476)
Show SMILES COc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(14-16-25-21,18-7-5-4-6-8-18)13-15-23-19-9-11-20(24-3)12-10-19/h4-12,23H,13-17H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348047
PNG
(CHEMBL1800494)
Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C22H28FNO/c1-17-9-10-20(19(23)15-17)24-13-11-22(18-7-5-4-6-8-18)12-14-25-21(2,3)16-22/h4-10,15,24H,11-14,16H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348042
PNG
(CHEMBL1800489)
Show SMILES Cc1cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)ccc1Cl
Show InChI InChI=1S/C22H28ClNO/c1-17-15-19(9-10-20(17)23)24-13-11-22(18-7-5-4-6-8-18)12-14-25-21(2,3)16-22/h4-10,15,24H,11-14,16H2,1-3H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))		BDBM50348005
PNG
(CHEMBL1800360)
Show SMILES CC1(C)CC(CCN(CC(=O)c2ccco2)c2ccccc2)(CCO1)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c1-26(2)21-27(16-19-31-26,22-10-5-3-6-11-22)15-17-28(23-12-7-4-8-13-23)20-24(29)25-14-9-18-30-25/h3-14,18H,15-17,19-21H2,1-2H3
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Myrexis Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...

J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
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