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Found 422 hits Enz. Inhib. hit(s) with Target = 'Protein-S-isoprenylcysteine O-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
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\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)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Rattus norvegicus)
BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=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)


BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\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)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Saccharomyces cerevisiae)
BDBM50174225
PNG
(((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylsul...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6](-[#8-])=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
Protein-S-isoprenylcysteine O-methyltransferase


(Rattus norvegicus)
BDBM50034280
PNG
(2-Chloro-5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ccc(Cl)c(c1)-[#6](-[#8])=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)


BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Rattus norvegicus)
BDBM50034277
PNG
(CHEMBL23289 | Thioacetic acid S-((2E,6E)-3,7,11-tr...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6](-[#6])=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)


BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Saccharomyces cerevisiae)
BDBM50174226
PNG
(2-acetamido-3-[(2E,6E,10E)-3,7,11,15-tetramethylhe...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]S(=O)[#6]-[#6](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=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
Protein-S-isoprenylcysteine O-methyltransferase


(Rattus norvegicus)
BDBM50034276
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyl-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ncccc1-[#6](-[#8])=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)


BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Saccharomyces cerevisiae)
BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=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
Protein-S-isoprenylcysteine O-methyltransferase


(Rattus norvegicus)
BDBM50034279
PNG
(5-Amino-2-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccc(-[#7])cc1-[#6](-[#8])=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)


BindingDB Entry DOI: 10.7270/Q2N015KK
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502491
PNG
(CHEMBL4443354 | US11834430, Compound 41)
Show SMILES C[C@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502491
PNG
(CHEMBL4443354 | US11834430, Compound 41)
Show SMILES C[C@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1
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n/an/a 0.00200n/an/an/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502493
PNG
(CHEMBL4558383 | US11834430, Compound 81)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r|
Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502489
PNG
(CHEMBL4583704 | US11834430, Compound 72)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r|
Show InChI InChI=1S/C21H21N3O3/c1-15(27-20-8-7-17(13-22)11-21(20)25-3)14-26-19-6-4-5-18(12-19)24-10-9-23-16(24)2/h4-12,15H,14H2,1-3H3/t15-/m0/s1
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637711
PNG
(3-methoxy-4-((1-(3- (2-methyl-1H- imidazol-1- yl)p...)
Show SMILES COc1cc(ccc1OC(C)COc1cccc(c1)-n1ccnc1C)C#N
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502494
PNG
(CHEMBL4446351 | US11834430, Compound 9)
Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
Show InChI InChI=1S/C21H18ClN3O2/c22-19-12-15(14-23)4-7-20(19)27-11-10-26-18-3-1-2-17(13-18)25-9-8-24-21(25)16-5-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502494
PNG
(CHEMBL4446351 | US11834430, Compound 9)
Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
Show InChI InChI=1S/C21H18ClN3O2/c22-19-12-15(14-23)4-7-20(19)27-11-10-26-18-3-1-2-17(13-18)25-9-8-24-21(25)16-5-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637738
PNG
((S)-3-chloro-4-((1- (3-(2-methyl-1H- imidazol-1- y...)
Show SMILES C[C@@H](COc1cccc(c1)-n1ccnc1C)Oc1ccc(cc1Cl)C#N |r|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502488
PNG
(CHEMBL4449942 | US11834430, Compound 62)
Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1
Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502488
PNG
(CHEMBL4449942 | US11834430, Compound 62)
Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1
Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502492
PNG
(CHEMBL4446048 | US11834430, Compound 8)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502486
PNG
(CHEMBL4468997 | US11834430, Compound 5)
Show SMILES Cc1nccn1-c1cccc(OCCOc2ccc(cc2Cl)C#N)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-14-22-7-8-23(14)16-3-2-4-17(12-16)24-9-10-25-19-6-5-15(13-21)11-18(19)20/h2-8,11-12H,9-10H2,1H3
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502492
PNG
(CHEMBL4446048 | US11834430, Compound 8)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637731
PNG
((S)-4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)ph...)
Show SMILES C[C@@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1C)C#N |r|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637758
PNG
(4-(2-((2-(2- cyclopropyl-1H- imidazol-1- yl)pyridi...)
Show SMILES Fc1cc(ccc1OCCOc1ccnc(c1)-n1ccnc1C1CC1)C#N
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637735
PNG
(3-fluoro-4-(2-((2-(2- methyl-1H- imidazol-1- yl)py...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(cc2F)C#N)ccn1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637730
PNG
((R)-3-methoxy-4- ((1-(3-(1-methyl- 1H-pyrazol-5- y...)
Show SMILES COc1cc(ccc1O[C@H](C)COc1cccc(c1)-c1ccnn1C)C#N |r|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502489
PNG
(CHEMBL4583704 | US11834430, Compound 72)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r|
Show InChI InChI=1S/C21H21N3O3/c1-15(27-20-8-7-17(13-22)11-21(20)25-3)14-26-19-6-4-5-18(12-19)24-10-9-23-16(24)2/h4-12,15H,14H2,1-3H3/t15-/m0/s1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502490
PNG
(CHEMBL4464629 | US11834430, Compound 47)
Show SMILES C[C@@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C20H18FN3O2/c1-14(26-20-7-6-15(12-22)10-18(20)21)13-25-17-5-3-4-16(11-17)19-8-9-23-24(19)2/h3-11,14H,13H2,1-2H3/t14-/m0/s1
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637759
PNG
((R)-3-methoxy-4- ((1-(3-(2-methyl- 1H-imidazol-1- ...)
Show SMILES COc1cc(ccc1O[C@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637719
PNG
(3-fluoro-4-((1-(3-(1- methyl-1H-pyrazol- 5- yl)phe...)
Show SMILES CC(COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637742
PNG
((S)-3-methoxy-4- ((1-(3-(1-methyl- 1H-pyrazol-5- y...)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-c1ccnn1C)C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637743
PNG
(4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)phenox...)
Show SMILES CC(COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1C)C#N
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502487
PNG
(CHEMBL4473893 | US11834430, Compound 15)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-23-18(8-9-22-23)16-4-3-5-17(13-16)25-10-11-26-19-7-6-15(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502493
PNG
(CHEMBL4558383 | US11834430, Compound 81)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r|
Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-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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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
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637728
PNG
((R)-3-fluoro-4-((1- (3-(1-methyl-1H- pyrazol-5- yl...)
Show SMILES C[C@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N |r|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637706
PNG
(3-chloro-4-(2-((2-(2- methyl-1H- imidazol-1- yl)py...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(cc2Cl)C#N)ccn1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502487
PNG
(CHEMBL4473893 | US11834430, Compound 15)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-23-18(8-9-22-23)16-4-3-5-17(13-16)25-10-11-26-19-7-6-15(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637713
PNG
(3-methoxy-4-((1-(3- (1-methyl-1H- pyrazol-5- yl)ph...)
Show SMILES COc1cc(ccc1OC(C)COc1cccc(c1)-c1ccnn1C)C#N
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Citation and Details
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637750
PNG
((R)-4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)ph...)
Show SMILES C[C@H](COc1cccc(c1)N1C=CNC1C1CC1)Oc1ccc(cc1C)C#N |r,c:12|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637715
PNG
((S)-3-chloro-4-(2- (3-(2-methyl-1H- imidazol-1- yl...)
Show SMILES C[C@@H](COc1ccc(cc1Cl)C#N)Oc1cccc(c1)-n1ccnc1C |r|
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637712
PNG
(3-methyl-4-((1-(3- (1-methyl-1H- pyrazol-5- yl)phe...)
Show SMILES CC(COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1C)C#N
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Citation and Details
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502495
PNG
(CHEMBL4445788 | US11834430, Compound 40)
Show SMILES C[C@@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1C)C#N |r|
Show InChI InChI=1S/C21H21N3O2/c1-15-11-17(13-22)7-8-21(15)26-16(2)14-25-19-6-4-5-18(12-19)20-9-10-23-24(20)3/h4-12,16H,14H2,1-3H3/t16-/m0/s1
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Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637710
PNG
(4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)phenox...)
Show SMILES CC(COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637776
PNG
(4-(2-(3-fluoro-5-(1- methyl-1H-pyrazol- 5- yl)phen...)
Show SMILES Cn1nccc1-c1cc(F)cc(OCCOc2ccc(cc2)C#N)c1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637786
PNG
(4-(2-(4-bromo-2- fluorophenoxy) ethoxy)-2-(2-methy...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(Br)cc2F)ccn1
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Citation and Details
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637782
PNG
(3-chloro-4-(2-((2-(1- methyl-1H-pyrazol- 5-yl)pyri...)
Show SMILES Cn1nccc1-c1cc(OCCOc2ccc(cc2Cl)C#N)ccn1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637688
PNG
(3-fluoro-4-(2-(3-(2- methyl-1H- imidazol-1- yl)phe...)
Show SMILES Cc1nccn1-c1cccc(OCCOc2ccc(cc2F)C#N)c1
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637800
PNG
(3-chloro-4-(2-(3-(1- cyclopropyl-1H- pyrazol-5- yl...)
Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C1CC1)C#N
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Ligand-Target Pair
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