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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 280.4
BDBM50034277
Wt: 286.4
BDBM50327702
Wt: 275.3
BDBM50327732
Wt: 288.4
BDBM50327739
Wt: 264.3
BDBM50327704
Wt: 270.4
BDBM50327736
Wt: 260.3
BDBM50327737
Wt: 268.2
BDBM50411555
Wt: 264.3
BDBM50411530
Wt: 280.3
BDBM50411506
Wt: 294.3
BDBM50411517
Wt: 256.3
BDBM50183412
Wt: 240.2
BDBM50183441
Wt: 274.3
BDBM50183440
Wt: 226.3
BDBM50183442
Displayed 1 to 15 (of 269 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isoprenylcysteine carboxyl methyltransferase


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



Institute for Biological Research

Curated by ChEMBL


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


J Med Chem 38: 1267-72 (1995)


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


(Homo sapiens)
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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50327739
PNG
(CHEMBL1257982 | N-ethyl-N-((5-fluoro-1-(3-methylbu...)
Show SMILES CCN(CC)Cc1cn(CC=C(C)C)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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50411555
PNG
(CHEMBL241488)
Show SMILES NC(=O)Cc1c[nH]c2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H13FN2O/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-19-15)8-16(18)20/h1-7,9,19H,8H2,(H2,18,20)
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n/an/a 3.98E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of ICMT expressed in Sf9 cells


Bioorg Med Chem Lett 17: 1025-32 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.030
BindingDB Entry DOI: 10.7270/Q2X34ZP3
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50183441
PNG
(CHEMBL3823782)
Show SMILES O=C(C1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16O2/c17-16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


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


(Homo sapiens)
BDBM50183442
PNG
(CHEMBL3823998)
Show SMILES C(C1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H18O/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-6,12-13H,7-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


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


(Homo sapiens)
BDBM50183440
PNG
(CHEMBL3823382)
Show SMILES OC(C1CCOCC1)(c1cccs1)c1ccccc1
Show InChI InChI=1S/C16H18O2S/c17-16(15-7-4-12-19-15,13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-7,12,14,17H,8-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


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


(Homo sapiens)
BDBM50183412
PNG
(CHEMBL3822723)
Show SMILES C1CC(CCO1)=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C16H16OS/c1-2-5-13(6-3-1)16(15-7-4-12-18-15)14-8-10-17-11-9-14/h1-7,12H,8-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


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


(Homo sapiens)
BDBM50327736
PNG
(CHEMBL1255906 | N-ethyl-N-((1-(3-methylbut-2-enyl)...)
Show SMILES CCN(CC)Cc1cn(CC=C(C)C)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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50327737
PNG
(2-(5-fluoro-1-(3-methylbut-2-enyl)-1H-indol-3-yl)a...)
Show SMILES CC(C)=CCn1cc(CC(N)=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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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 1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of ICMT expressed in Sf9 cells


Bioorg Med Chem Lett 17: 1025-32 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.030
BindingDB Entry DOI: 10.7270/Q2X34ZP3
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50411530
PNG
(CHEMBL241490)
Show SMILES Cc1ccc(cc1)-c1ccc2[nH]cc(CC(N)=O)c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-2-4-12(5-3-11)13-6-7-16-15(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 1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of ICMT expressed in Sf9 cells


Bioorg Med Chem Lett 17: 1025-32 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.030
BindingDB Entry DOI: 10.7270/Q2X34ZP3
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50411517
PNG
(CHEMBL240239)
Show SMILES CCOc1cccc(c1)-c1ccc2[nH]cc(CC(N)=O)c2c1
Show InChI InChI=1S/C18H18N2O2/c1-2-22-15-5-3-4-12(8-15)13-6-7-17-16(9-13)14(11-20-17)10-18(19)21/h3-9,11,20H,2,10H2,1H3,(H2,19,21)
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n/an/a 1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of ICMT expressed in Sf9 cells


Bioorg Med Chem Lett 17: 1025-32 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.030
BindingDB Entry DOI: 10.7270/Q2X34ZP3
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50411506
PNG
(CHEMBL239782)
Show SMILES COc1ccccc1-c1ccc2[nH]cc(CC(N)=O)c2c1
Show InChI InChI=1S/C17H16N2O2/c1-21-16-5-3-2-4-13(16)11-6-7-15-14(8-11)12(10-19-15)9-17(18)20/h2-8,10,19H,9H2,1H3,(H2,18,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of ICMT expressed in Sf9 cells


Bioorg Med Chem Lett 17: 1025-32 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.030
BindingDB Entry DOI: 10.7270/Q2X34ZP3
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
BDBM50327732
PNG
(1-(3-methylbut-2-enyl)-5-m-tolyl-1H-indole | CHEMB...)
Show SMILES CC(C)=CCn1ccc2cc(ccc12)-c1cccc(C)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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n/an/a>1.00E+5n/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