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Compile Data Set for Download or QSAR

Found 10 hits of ki data for polymerid = 50001953,50003309,50003551   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isoprenylcysteine carboxyl methyltransferase


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



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


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


Medchemcomm 7: 1016-1021 (2016)


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


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



Institute for Biological Research

Curated by ChEMBL


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


J Med Chem 38: 1267-72 (1995)


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


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



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


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


Medchemcomm 7: 1016-1021 (2016)


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


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



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


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


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


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



Institute for Biological Research

Curated by ChEMBL


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


J Med Chem 38: 1267-72 (1995)


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


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



Institute for Biological Research

Curated by ChEMBL


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


J Med Chem 38: 1267-72 (1995)


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


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



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


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


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


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



Institute for Biological Research

Curated by ChEMBL


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


J Med Chem 38: 1267-72 (1995)


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


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



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


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


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


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



Institute for Biological Research

Curated by ChEMBL


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


J Med Chem 38: 1267-72 (1995)


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