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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50032360   
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))
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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
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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n/an/a 600n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327730
PNG
(CHEMBL1257624 | N-ethyl-N-((1-octyl-5-o-tolyl-1H-i...)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccccc1C
Show InChI InChI=1S/C28H40N2/c1-5-8-9-10-11-14-19-30-22-25(21-29(6-2)7-3)27-20-24(17-18-28(27)30)26-16-13-12-15-23(26)4/h12-13,15-18,20,22H,5-11,14,19,21H2,1-4H3
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n/an/a 600n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327721
PNG
(1-octyl-3-(piperidin-1-ylmethyl)-5-m-tolyl-1H-indo...)
Show SMILES CCCCCCCCn1cc(CN2CCCCC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C29H40N2/c1-3-4-5-6-7-11-19-31-23-27(22-30-17-9-8-10-18-30)28-21-26(15-16-29(28)31)25-14-12-13-24(2)20-25/h12-16,20-21,23H,3-11,17-19,22H2,1-2H3
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n/an/a 700n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327716
PNG
(CHEMBL1258659 | N-ethyl-N-((1-octyl-5-m-tolyl-1H-i...)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C28H40N2/c1-5-8-9-10-11-12-18-30-22-26(21-29(6-2)7-3)27-20-25(16-17-28(27)30)24-15-13-14-23(4)19-24/h13-17,19-20,22H,5-12,18,21H2,1-4H3
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n/an/a 700n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327714
PNG
((1-octyl-5-m-tolyl-1H-indol-3-yl)methanamine | CHE...)
Show SMILES CCCCCCCCn1cc(CN)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C24H32N2/c1-3-4-5-6-7-8-14-26-18-22(17-25)23-16-21(12-13-24(23)26)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17,25H2,1-2H3
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n/an/a 700n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327718
PNG
(CHEMBL1258775 | N-((1-octyl-5-m-tolyl-1H-indol-3-y...)
Show SMILES CCCCCCCCn1cc(CN(CCC)CCC)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C30H44N2/c1-5-8-9-10-11-12-20-32-24-28(23-31(18-6-2)19-7-3)29-22-27(16-17-30(29)32)26-15-13-14-25(4)21-26/h13-17,21-22,24H,5-12,18-20,23H2,1-4H3
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n/an/a 800n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327740
PNG
(CHEMBL1258097 | N,N-diethyl-2-(5-(3-methoxyphenyl)...)
Show SMILES CCCCCCCCn1cc(CC(=O)N(CC)CC)c2cc(ccc12)-c1cccc(OC)c1
Show InChI InChI=1S/C29H40N2O2/c1-5-8-9-10-11-12-18-31-22-25(21-29(32)30(6-2)7-3)27-20-24(16-17-28(27)31)23-14-13-15-26(19-23)33-4/h13-17,19-20,22H,5-12,18,21H2,1-4H3
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n/an/a 800n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327722
PNG
(3-((4-methylpiperazin-1-yl)methyl)-1-octyl-5-m-tol...)
Show SMILES CCCCCCCCn1cc(CN2CCN(C)CC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C29H41N3/c1-4-5-6-7-8-9-15-32-23-27(22-31-18-16-30(3)17-19-31)28-21-26(13-14-29(28)32)25-12-10-11-24(2)20-25/h10-14,20-21,23H,4-9,15-19,22H2,1-3H3
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n/an/a 900n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327719
PNG
(CHEMBL1258776 | N-methyl-N-((1-octyl-5-m-tolyl-1H-...)
Show SMILES CCCCCCCCn1cc(CN(C)C(C)C)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C28H40N2/c1-6-7-8-9-10-11-17-30-21-26(20-29(5)22(2)3)27-19-25(15-16-28(27)30)24-14-12-13-23(4)18-24/h12-16,18-19,21-22H,6-11,17,20H2,1-5H3
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n/an/a 900n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327697
PNG
(2-(1-octyl-5-o-tolyl-1H-indol-3-yl)acetamide | CHE...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1ccccc1C
Show InChI InChI=1S/C25H32N2O/c1-3-4-5-6-7-10-15-27-18-21(17-25(26)28)23-16-20(13-14-24(23)27)22-12-9-8-11-19(22)2/h8-9,11-14,16,18H,3-7,10,15,17H2,1-2H3,(H2,26,28)
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n/an/a 1.00E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327707
PNG
(2-(1-(3,7-dimethylocta-2,6-dienyl)-5-m-tolyl-1H-in...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]-[#6](-[#7])=O)c2cc(ccc12)-c1cccc(-[#6])c1
Show InChI InChI=1S/C27H32N2O/c1-19(2)7-5-8-20(3)13-14-29-18-24(17-27(28)30)25-16-23(11-12-26(25)29)22-10-6-9-21(4)15-22/h6-7,9-13,15-16,18H,5,8,14,17H2,1-4H3,(H2,28,30)/b20-13+
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327741
PNG
(2-(5-(3-ethoxyphenyl)-1-octyl-1H-indol-3-yl)-N,N-d...)
Show SMILES CCCCCCCCn1cc(CC(=O)N(CC)CC)c2cc(ccc12)-c1cccc(OCC)c1
Show InChI InChI=1S/C30H42N2O2/c1-5-9-10-11-12-13-19-32-23-26(22-30(33)31(6-2)7-3)28-21-25(17-18-29(28)32)24-15-14-16-27(20-24)34-8-4/h14-18,20-21,23H,5-13,19,22H2,1-4H3
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327698
PNG
(2-(1-octyl-5-p-tolyl-1H-indol-3-yl)acetamide | CHE...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1ccc(C)cc1
Show InChI InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-15-27-18-22(17-25(26)28)23-16-21(13-14-24(23)27)20-11-9-19(2)10-12-20/h9-14,16,18H,3-8,15,17H2,1-2H3,(H2,26,28)
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327711
PNG
(2-(1-octyl-5-m-tolyl-1H-indol-3-yl)-1-(pyrrolidin-...)
Show SMILES CCCCCCCCn1cc(CC(=O)N2CCCC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C29H38N2O/c1-3-4-5-6-7-8-18-31-22-26(21-29(32)30-16-9-10-17-30)27-20-25(14-15-28(27)31)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 1.20E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327729
PNG
(CHEMBL1257507 | N-((1-octyl-5-m-tolyl-1H-indol-3-y...)
Show SMILES CCCCCCCCn1cc(CNS(C)(=O)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C25H34N2O2S/c1-4-5-6-7-8-9-15-27-19-23(18-26-30(3,28)29)24-17-22(13-14-25(24)27)21-12-10-11-20(2)16-21/h10-14,16-17,19,26H,4-9,15,18H2,1-3H3
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327725
PNG
(3-(1-octyl-5-m-tolyl-1H-indol-3-yl)propanamide | C...)
Show SMILES CCCCCCCCn1cc(CCC(N)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C26H34N2O/c1-3-4-5-6-7-8-16-28-19-23(13-15-26(27)29)24-18-22(12-14-25(24)28)21-11-9-10-20(2)17-21/h9-12,14,17-19H,3-8,13,15-16H2,1-2H3,(H2,27,29)
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327715
PNG
(CHEMBL1258548 | N,N-dimethyl-1-(1-octyl-5-m-tolyl-...)
Show SMILES CCCCCCCCn1cc(CN(C)C)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C26H36N2/c1-5-6-7-8-9-10-16-28-20-24(19-27(3)4)25-18-23(14-15-26(25)28)22-13-11-12-21(2)17-22/h11-15,17-18,20H,5-10,16,19H2,1-4H3
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n/an/a 1.30E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327700
PNG
(2-(5-(3-ethoxyphenyl)-1-octyl-1H-indol-3-yl)acetam...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1cccc(OCC)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2/h10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29)
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327710
PNG
(CHEMBL1258326 | N,N-diethyl-2-(1-octyl-5-m-tolyl-1...)
Show SMILES CCCCCCCCn1cc(CC(=O)N(CC)CC)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C29H40N2O/c1-5-8-9-10-11-12-18-31-22-26(21-29(32)30(6-2)7-3)27-20-25(16-17-28(27)31)24-15-13-14-23(4)19-24/h13-17,19-20,22H,5-12,18,21H2,1-4H3
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n/an/a 1.40E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327709
PNG
(CHEMBL1258210 | N,N-dimethyl-2-(1-octyl-5-m-tolyl-...)
Show SMILES CCCCCCCCn1cc(CC(=O)N(C)C)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C27H36N2O/c1-5-6-7-8-9-10-16-29-20-24(19-27(30)28(3)4)25-18-23(14-15-26(25)29)22-13-11-12-21(2)17-22/h11-15,17-18,20H,5-10,16,19H2,1-4H3
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n/an/a 1.50E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327696
PNG
(2-(1-octyl-5-m-tolyl-1H-indol-3-yl)acetamide | CHE...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
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n/an/a 1.50E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327717
PNG
(CHEMBL1258660 | N-isopropyl-N-((1-octyl-5-m-tolyl-...)
Show SMILES CCCCCCCCn1cc(CN(C(C)C)C(C)C)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C30H44N2/c1-7-8-9-10-11-12-18-31-21-28(22-32(23(2)3)24(4)5)29-20-27(16-17-30(29)31)26-15-13-14-25(6)19-26/h13-17,19-21,23-24H,7-12,18,22H2,1-6H3
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n/an/a 1.70E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327713
PNG
(1-(4-methylpiperazin-1-yl)-2-(1-octyl-5-m-tolyl-1H...)
Show SMILES CCCCCCCCn1cc(CC(=O)N2CCN(C)CC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C30H41N3O/c1-4-5-6-7-8-9-15-33-23-27(22-30(34)32-18-16-31(3)17-19-32)28-21-26(13-14-29(28)33)25-12-10-11-24(2)20-25/h10-14,20-21,23H,4-9,15-19,22H2,1-3H3
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n/an/a 1.70E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327728
PNG
(CHEMBL1257506 | N-((1-octyl-5-m-tolyl-1H-indol-3-y...)
Show SMILES CCCCCCCCn1cc(CNC(C)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C26H34N2O/c1-4-5-6-7-8-9-15-28-19-24(18-27-21(3)29)25-17-23(13-14-26(25)28)22-12-10-11-20(2)16-22/h10-14,16-17,19H,4-9,15,18H2,1-3H3,(H,27,29)
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n/an/a 1.80E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327701
PNG
(2-(1-octyl-5-phenyl-1H-indol-3-yl)acetamide | CHEM...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-2-3-4-5-6-10-15-26-18-21(17-24(25)27)22-16-20(13-14-23(22)26)19-11-8-7-9-12-19/h7-9,11-14,16,18H,2-6,10,15,17H2,1H3,(H2,25,27)
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n/an/a 1.80E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327712
PNG
(2-(1-octyl-5-m-tolyl-1H-indol-3-yl)-1-(piperidin-1...)
Show SMILES CCCCCCCCn1cc(CC(=O)N2CCCCC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C30H40N2O/c1-3-4-5-6-7-9-19-32-23-27(22-30(33)31-17-10-8-11-18-31)28-21-26(15-16-29(28)32)25-14-12-13-24(2)20-25/h12-16,20-21,23H,3-11,17-19,22H2,1-2H3
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n/an/a 1.80E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327699
PNG
(2-(5-(3-methoxyphenyl)-1-octyl-1H-indol-3-yl)aceta...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1cccc(OC)c1
Show InChI InChI=1S/C25H32N2O2/c1-3-4-5-6-7-8-14-27-18-21(17-25(26)28)23-16-20(12-13-24(23)27)19-10-9-11-22(15-19)29-2/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
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n/an/a 1.90E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327735
PNG
(4-((1-(3-methylbut-2-enyl)-5-m-tolyl-1H-indol-3-yl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2cc(ccc12)-c1cccc(-[#6])c1
Show InChI InChI=1S/C25H30N2O/c1-19(2)9-10-27-18-23(17-26-11-13-28-14-12-26)24-16-22(7-8-25(24)27)21-6-4-5-20(3)15-21/h4-9,15-16,18H,10-14,17H2,1-3H3
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n/an/a 2.00E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327734
PNG
(1-(3-methylbut-2-enyl)-3-(piperidin-1-ylmethyl)-5-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c2cc(ccc12)-c1cccc(-[#6])c1
Show InChI InChI=1S/C26H32N2/c1-20(2)12-15-28-19-24(18-27-13-5-4-6-14-27)25-17-23(10-11-26(25)28)22-9-7-8-21(3)16-22/h7-12,16-17,19H,4-6,13-15,18H2,1-3H3
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n/an/a 2.10E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327733
PNG
(CHEMBL1257748 | N-ethyl-N-((1-(3-methylbut-2-enyl)...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-c1cn(-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(cc12)-c1cccc(-[#6])c1
Show InChI InChI=1S/C25H32N2/c1-6-26(7-2)17-23-18-27(14-13-19(3)4)25-12-11-22(16-24(23)25)21-10-8-9-20(5)15-21/h8-13,15-16,18H,6-7,14,17H2,1-5H3
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n/an/a 2.40E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327705
PNG
(2-(1-(3-(trifluoromethyl)benzyl)-5-m-tolyl-1H-indo...)
Show SMILES Cc1cccc(c1)-c1ccc2n(Cc3cccc(c3)C(F)(F)F)cc(CC(N)=O)c2c1
Show InChI InChI=1S/C25H21F3N2O/c1-16-4-2-6-18(10-16)19-8-9-23-22(12-19)20(13-24(29)31)15-30(23)14-17-5-3-7-21(11-17)25(26,27)28/h2-12,15H,13-14H2,1H3,(H2,29,31)
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n/an/a 2.50E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327723
PNG
(4-((1-octyl-5-m-tolyl-1H-indol-3-yl)methyl)morphol...)
Show SMILES CCCCCCCCn1cc(CN2CCOCC2)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C28H38N2O/c1-3-4-5-6-7-8-14-30-22-26(21-29-15-17-31-18-16-29)27-20-25(12-13-28(27)30)24-11-9-10-23(2)19-24/h9-13,19-20,22H,3-8,14-18,21H2,1-2H3
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n/an/a 2.70E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327738
PNG
(CHEMBL1257981 | N-ethyl-N-((5-fluoro-1-octyl-1H-in...)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(F)ccc12
Show InChI InChI=1S/C21H33FN2/c1-4-7-8-9-10-11-14-24-17-18(16-23(5-2)6-3)20-15-19(22)12-13-21(20)24/h12-13,15,17H,4-11,14,16H2,1-3H3
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n/an/a 4.10E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327702
PNG
(2-(1-octyl-1H-indol-3-yl)acetamide | CHEMBL1257979)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2ccccc12
Show InChI InChI=1S/C18H26N2O/c1-2-3-4-5-6-9-12-20-14-15(13-18(19)21)16-10-7-8-11-17(16)20/h7-8,10-11,14H,2-6,9,12-13H2,1H3,(H2,19,21)
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n/an/a 6.50E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327703
PNG
(2-(5-fluoro-1-octyl-1H-indol-3-yl)acetamide | CHEM...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H25FN2O/c1-2-3-4-5-6-7-10-21-13-14(11-18(20)22)16-12-15(19)8-9-17(16)21/h8-9,12-13H,2-7,10-11H2,1H3,(H2,20,22)
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n/an/a 7.00E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327706
PNG
(2-(1-(2-methylbuta-1,3-dienyl)-5-m-tolyl-1H-indol-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]-[#6](-[#7])=O)c2cc(ccc12)-c1cccc(-[#6])c1
Show InChI InChI=1S/C22H24N2O/c1-15(2)9-10-24-14-19(13-22(23)25)20-12-18(7-8-21(20)24)17-6-4-5-16(3)11-17/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25)
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n/an/a 7.70E+3n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327724
PNG
(1-octyl-5-m-tolyl-1H-indole-3-carboxamide | CHEMBL...)
Show SMILES CCCCCCCCn1cc(C(N)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C24H30N2O/c1-3-4-5-6-7-8-14-26-17-22(24(25)27)21-16-20(12-13-23(21)26)19-11-9-10-18(2)15-19/h9-13,15-17H,3-8,14H2,1-2H3,(H2,25,27)
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n/an/a 3.00E+4n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327704
PNG
(2-(5-m-tolyl-1H-indol-3-yl)acetamide | CHEMBL42768...)
Show SMILES Cc1cccc(c1)-c1ccc2[nH]cc(CC(N)=O)c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-3-2-4-12(7-11)13-5-6-16-15(8-13)14(10-19-16)9-17(18)20/h2-8,10,19H,9H2,1H3,(H2,18,20)
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n/an/a 3.30E+4n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327739
PNG
(CHEMBL1257982 | N-ethyl-N-((5-fluoro-1-(3-methylbu...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-c1cn(-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(F)cc12
Show InChI InChI=1S/C18H25FN2/c1-5-20(6-2)12-15-13-21(10-9-14(3)4)18-8-7-16(19)11-17(15)18/h7-9,11,13H,5-6,10,12H2,1-4H3
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n/an/a 3.50E+4n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327736
PNG
(CHEMBL1255906 | N-ethyl-N-((1-(3-methylbut-2-enyl)...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-c1cn(-[#6]\[#6]=[#6](\[#6])-[#6])c2ccccc12
Show InChI InChI=1S/C18H26N2/c1-5-19(6-2)13-16-14-20(12-11-15(3)4)18-10-8-7-9-17(16)18/h7-11,14H,5-6,12-13H2,1-4H3
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n/an/a 6.70E+4n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327737
PNG
(2-(5-fluoro-1-(3-methylbut-2-enyl)-1H-indol-3-yl)a...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]-[#6](-[#7])=O)c2cc(F)ccc12
Show InChI InChI=1S/C15H17FN2O/c1-10(2)5-6-18-9-11(7-15(17)19)13-8-12(16)3-4-14(13)18/h3-5,8-9H,6-7H2,1-2H3,(H2,17,19)
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n/an/a 6.90E+4n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327726
PNG
(CHEMBL1257397 | methyl 2-(1-octyl-5-m-tolyl-1H-ind...)
Show SMILES CCCCCCCCn1cc(CC(=O)OC)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C26H33NO2/c1-4-5-6-7-8-9-15-27-19-23(18-26(28)29-3)24-17-22(13-14-25(24)27)21-12-10-11-20(2)16-21/h10-14,16-17,19H,4-9,15,18H2,1-3H3
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n/an/a 7.60E+4n/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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327732
PNG
(1-(3-methylbut-2-enyl)-5-m-tolyl-1H-indole | CHEMB...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1ccc2cc(ccc12)-c1cccc(-[#6])c1
Show InChI InChI=1S/C20H21N/c1-15(2)9-11-21-12-10-19-14-18(7-8-20(19)21)17-6-4-5-16(3)13-17/h4-10,12-14H,11H2,1-3H3
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327708
PNG
(1-octyl-5-m-tolyl-1H-indole | CHEMBL1258209)
Show SMILES CCCCCCCCn1ccc2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C23H29N/c1-3-4-5-6-7-8-15-24-16-14-22-18-21(12-13-23(22)24)20-11-9-10-19(2)17-20/h9-14,16-18H,3-8,15H2,1-2H3
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327727
PNG
(CHEMBL1257398 | ethyl 2-(1-octyl-5-m-tolyl-1H-indo...)
Show SMILES CCCCCCCCn1cc(CC(=O)OCC)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C27H35NO2/c1-4-6-7-8-9-10-16-28-20-24(19-27(29)30-5-2)25-18-23(14-15-26(25)28)22-13-11-12-21(3)17-22/h11-15,17-18,20H,4-10,16,19H2,1-3H3
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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


J Med Chem 53: 6838-50 (2010)


Article DOI: 10.1021/jm1002843
BindingDB Entry DOI: 10.7270/Q2VT1SB1
More data for this
Ligand-Target Pair