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Compile Data Set for Download or QSAR

Found 260 hits Enz. Inhib. hit(s) with Target = 'Isoprenylcysteine carboxyl methyltransferase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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n/an/a 31n/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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n/an/a 31n/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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n/an/a 32n/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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n/an/a 40n/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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n/an/a 49n/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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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n/an/a 52n/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348039
PNG
(CHEMBL1800486)
Show SMILES CC1(C)CC(CCNc2ccc(Cl)cc2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26ClNO/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348053
PNG
(CHEMBL1800500)
Show SMILES CC1(C)CC(CCNc2cccc(c2)C(F)(F)F)(CCO1)c1ccccc1
Show InChI InChI=1S/C22H26F3NO/c1-20(2)16-21(12-14-27-20,17-7-4-3-5-8-17)11-13-26-19-10-6-9-18(15-19)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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348078
PNG
(CHEMBL1800708)
Show SMILES COc1cccc(NCCC2(CC(C)(C)SC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C24H33NOS/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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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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348073
PNG
(CHEMBL1800521)
Show SMILES Cc1ccc(NCCC2(CCOCC2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClNO/c1-16-7-8-18(15-19(16)21)22-12-9-20(10-13-23-14-11-20)17-5-3-2-4-6-17/h2-8,15,22H,9-14H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348050
PNG
(CHEMBL1800497)
Show SMILES CC1(C)CC(CCNc2ccc(Cl)c(F)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-17-8-9-18(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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348002
PNG
(CHEMBL1800361)
Show SMILES CSCC[C@@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H34N4O3S/c1-22-8-6-7-11-26(22)28-16-24(17-32-18-25-19-33-21-34-25)12-13-27(28)30(36)35-29(14-15-39-2)31(37)38-20-23-9-4-3-5-10-23/h3-13,16,19,21,29,32H,14-15,17-18,20H2,1-2H3,(H,33,34)(H,35,36)/t29-/m1/s1
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Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICMT assessed as accumulation of ras in cytosolic fraction by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50327720
PNG
(1-octyl-3-(pyrrolidin-1-ylmethyl)-5-m-tolyl-1H-ind...)
Show SMILES CCCCCCCCn1cc(CN2CCCC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C28H38N2/c1-3-4-5-6-7-8-18-30-22-26(21-29-16-9-10-17-29)27-20-25(14-15-28(27)30)24-13-11-12-23(2)19-24/h11-15,19-20,22H,3-10,16-18,21H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant ICMT expressed in Sf9 cells using [3H] AdoMet after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348044
PNG
(CHEMBL1800491)
Show SMILES CC1(C)CC(CCNc2ccccc2F)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26FNO/c1-20(2)16-21(13-15-24-20,17-8-4-3-5-9-17)12-14-23-19-11-7-6-10-18(19)22/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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50348027
PNG
(CHEMBL1800424)
Show SMILES CC(C)(C)c1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C25H35NO/c1-23(2,3)21-12-9-13-22(18-21)26-16-14-25(20-10-7-6-8-11-20)15-17-27-24(4,5)19-25/h6-13,18,26H,14-17,19H2,1-5H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50327731
PNG
(CHEMBL1257625 | N-ethyl-N-((1-octyl-5-p-tolyl-1H-i...)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(C)cc1
Show InChI InChI=1S/C28H40N2/c1-5-8-9-10-11-12-19-30-22-26(21-29(6-2)7-3)27-20-25(17-18-28(27)30)24-15-13-23(4)14-16-24/h13-18,20,22H,5-12,19,21H2,1-4H3
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant ICMT expressed in Sf9 cells using [3H] AdoMet after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
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