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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'donelson' and Initial = 'jl'   
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))
BDBM50363182
PNG
(CHEMBL1946584)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]\[#6](-[#6]-[#6]-c1ccc(cc1)-c1ccccc1)=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H39NO4S/c1-28(2)17-18-30(20-19-29-21-23-32(24-22-29)31-11-5-3-6-12-31)25-26-44-27-35(38(41)42)39-37(40)34-15-9-10-16-36(34)43-33-13-7-4-8-14-33/h3-17,21-25,35H,18-20,26-27H2,1-2H3,(H,39,40)(H,41,42)/b30-25-/t35-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363181
PNG
(CHEMBL1946583)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363194
PNG
(CHEMBL1946775)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](=O)-c1ccccc1-[#8]-c1ccccc1 |r|
Show InChI InChI=1S/C32H41NO4S/c1-24(2)13-11-14-25(3)15-12-16-26(4)21-22-38-23-29(32(35)36)33(5)31(34)28-19-9-10-20-30(28)37-27-17-7-6-8-18-27/h6-10,13,15,17-21,29H,11-12,14,16,22-23H2,1-5H3,(H,35,36)/b25-15+,26-21+/t29-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363191
PNG
(CHEMBL1946593)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189242
PNG
((R)-2-[(adamantane-1-carbonyl)-amino]-3-(3,7,11-tr...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](-[#8])=O |TLB:19:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,19:21:24.23.28:26|
Show InChI InChI=1S/C29H45NO3S/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-12-34-19-26(27(31)32)30-28(33)29-16-23-13-24(17-29)15-25(14-23)18-29/h7,9,11,23-26H,5-6,8,10,12-19H2,1-4H3,(H,30,33)(H,31,32)/b21-9+,22-11+/t23?,24?,25?,26-,29?/m0/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363189
PNG
(CHEMBL1946591)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C32H41NO4S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-38-23-29(32(35)36)33-31(34)28-18-8-9-19-30(28)37-22-27-16-6-5-7-17-27/h5-9,12,14,16-20,29H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t29-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189239
PNG
((R)-2-(3,5-dinitrobenzamido)-3-(3,7,11-trimethyldo...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cc(cc(c1)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C25H33N3O7S/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-36-16-23(25(30)31)26-24(29)20-13-21(27(32)33)15-22(14-20)28(34)35/h7,9,11,13-15,23H,5-6,8,10,12,16H2,1-4H3,(H,26,29)(H,30,31)/b18-9+,19-11+/t23-/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363186
PNG
(CHEMBL1946588)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#16]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO3S2/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-36-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)37-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189241
PNG
((R)-2-(4-nitrobenzamido)-3-(3,7,11-trimethyldodeca...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-[#7+](-[#8-])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C25H34N2O5S/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-33-17-23(25(29)30)26-24(28)21-11-13-22(14-12-21)27(31)32/h7,9,11-15,23H,5-6,8,10,16-17H2,1-4H3,(H,26,28)(H,29,30)/b19-9+,20-15+/t23-/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189240
PNG
((R)-2-(2-(4-methoxyphenyl)furan-5-carboxamido)-3-(...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-c1ccc(o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C30H39NO5S/c1-21(2)8-6-9-22(3)10-7-11-23(4)18-19-37-20-26(30(33)34)31-29(32)28-17-16-27(36-28)24-12-14-25(35-5)15-13-24/h8,10,12-18,26H,6-7,9,11,19-20H2,1-5H3,(H,31,32)(H,33,34)/b22-10+,23-18+/t26-/m0/s1
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n/an/a 1.74E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189244
PNG
((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(3,7,11-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cc2ccccc2s1)-[#6](-[#8])=O
Show InChI InChI=1S/C27H35NO3S2/c1-19(2)9-7-10-20(3)11-8-12-21(4)15-16-32-18-23(27(30)31)28-26(29)25-17-22-13-5-6-14-24(22)33-25/h5-6,9,11,13-15,17,23H,7-8,10,12,16,18H2,1-4H3,(H,28,29)(H,30,31)/b20-11+,21-15+/t23-/m0/s1
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n/an/a 2.03E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363184
PNG
(CHEMBL1946586)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cccc(-[#8]-c2ccccc2)c1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO4S/c1-23(2)11-8-12-24(3)13-9-14-25(4)19-20-37-22-29(31(34)35)32-30(33)26-15-10-18-28(21-26)36-27-16-6-5-7-17-27/h5-7,10-11,13,15-19,21,29H,8-9,12,14,20,22H2,1-4H3,(H,32,33)(H,34,35)/b24-13+,25-19+/t29-/m0/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189243
PNG
((R)-2-(3,5-dichlorobenzamido)-3-(3,7,11-trimethyld...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cc(Cl)cc(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C25H33Cl2NO3S/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-32-16-23(25(30)31)28-24(29)20-13-21(26)15-22(27)14-20/h7,9,11,13-15,23H,5-6,8,10,12,16H2,1-4H3,(H,28,29)(H,30,31)/b18-9+,19-11+/t23-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363185
PNG
(CHEMBL1946587)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C32H41NO3S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-37-23-30(32(35)36)33-31(34)29-19-9-8-18-28(29)22-27-16-6-5-7-17-27/h5-9,12,14,16-20,30H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t30-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363193
PNG
(CHEMBL1946595)
Show SMILES [#6]\[#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](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C36H47NO4S/c1-27(2)14-11-15-28(3)16-12-17-29(4)18-13-19-30(5)24-25-42-26-33(36(39)40)37-35(38)32-22-9-10-23-34(32)41-31-20-7-6-8-21-31/h6-10,14,16,18,20-24,33H,11-13,15,17,19,25-26H2,1-5H3,(H,37,38)(H,39,40)/b28-16+,29-18+,30-24+/t33-/m0/s1
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UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363190
PNG
(CHEMBL1946592)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#6]-[#8]-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C33H43NO4S/c1-25(2)12-10-13-26(3)14-11-15-27(4)20-21-39-24-31(33(36)37)34-32(35)30-19-9-8-18-29(30)23-38-22-28-16-6-5-7-17-28/h5-9,12,14,16-20,31H,10-11,13,15,21-24H2,1-4H3,(H,34,35)(H,36,37)/b26-14+,27-20+/t31-/m0/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363187
PNG
(CHEMBL1946589)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cccc2c3ccccc3oc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H37NO4S/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-19-37-20-27(31(34)35)32-30(33)26-16-9-15-25-24-14-5-6-17-28(24)36-29(25)26/h5-6,9-10,12,14-18,27H,7-8,11,13,19-20H2,1-4H3,(H,32,33)(H,34,35)/b22-12+,23-18+/t27-/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363183
PNG
(CHEMBL1946585)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(-[#8]-c2ccccc2)cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO4S/c1-23(2)10-8-11-24(3)12-9-13-25(4)20-21-37-22-29(31(34)35)32-30(33)26-16-18-28(19-17-26)36-27-14-6-5-7-15-27/h5-7,10,12,14-20,29H,8-9,11,13,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-12+,25-20+/t29-/m0/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363188
PNG
(CHEMBL1946590)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#6]-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C32H41NO4S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-38-23-30(32(35)36)33-31(34)29-19-9-8-16-27(29)22-37-28-17-6-5-7-18-28/h5-9,12,14,16-20,30H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t30-/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363192
PNG
(CHEMBL1946594)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C26H31NO4S/c1-19(2)10-9-11-20(3)16-17-32-18-23(26(29)30)27-25(28)22-14-7-8-15-24(22)31-21-12-5-4-6-13-21/h4-8,10,12-16,23H,9,11,17-18H2,1-3H3,(H,27,28)(H,29,30)/b20-16+/t23-/m0/s1
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n/an/a 1.49E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363195
PNG
(CHEMBL1946776)
Show SMILES CCCCCCCCCCCSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C27H37NO4S/c1-2-3-4-5-6-7-8-9-15-20-33-21-24(27(30)31)28-26(29)23-18-13-14-19-25(23)32-22-16-11-10-12-17-22/h10-14,16-19,24H,2-9,15,20-21H2,1H3,(H,28,29)(H,30,31)/t24-/m0/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair