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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'hahne' and Initial = 'k'   
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))
BDBM50384449
PNG
(CHEMBL2035530)
Show SMILES COC(=O)CCSC\C=C(/C)CCn1cc(CCc2ccc(cc2)-c2ccccc2)nn1
Show InChI InChI=1S/C26H31N3O2S/c1-21(15-18-32-19-16-26(30)31-2)14-17-29-20-25(27-28-29)13-10-22-8-11-24(12-9-22)23-6-4-3-5-7-23/h3-9,11-12,15,20H,10,13-14,16-19H2,1-2H3/b21-15+
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50384447
PNG
(CHEMBL2035745)
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
More data for this
Ligand-Target Pair
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))
BDBM50342746
PNG
(2-thienyl-sulfonamido-farnesylcysteine | CHEMBL177...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccs1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H33NO4S3/c1-17(2)8-5-9-18(3)10-6-11-19(4)13-15-28-16-20(22(24)25)23-30(26,27)21-12-7-14-29-21/h7-8,10,12-14,20,23H,5-6,9,11,15-16H2,1-4H3,(H,24,25)/b18-10+,19-13+/t20-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342745
PNG
((R)-2-(5-(dimethylamino)naphthalene-1-sulfonamido)...)
Show SMILES [#6]-[#7](-[#6])-c1cccc2c(cccc12)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C30H42N2O4S2/c1-22(2)11-7-12-23(3)13-8-14-24(4)19-20-37-21-27(30(33)34)31-38(35,36)29-18-10-15-25-26(29)16-9-17-28(25)32(5)6/h9-11,13,15-19,27,31H,7-8,12,14,20-21H2,1-6H3,(H,33,34)/b23-13+,24-19+/t27-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342747
PNG
(3-nitrophenyl-sulfonamido-farnesylcysteine | CHEMB...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc(c1)-[#7+](-[#8-])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H34N2O6S2/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-33-17-23(24(27)28)25-34(31,32)22-13-7-12-21(16-22)26(29)30/h7-8,10,12-14,16,23,25H,5-6,9,11,15,17H2,1-4H3,(H,27,28)/b19-10+,20-14+/t23-/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 human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
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))
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))
BDBM50342748
PNG
(4-fluoro-phenyl-sulfonamido-farnesylcysteine | CHE...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccc(F)cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H34FNO4S2/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-31-17-23(24(27)28)26-32(29,30)22-13-11-21(25)12-14-22/h7,9,11-15,23,26H,5-6,8,10,16-17H2,1-4H3,(H,27,28)/b19-9+,20-15+/t23-/m0/s1
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n/an/a 1.55E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342744
PNG
(CHEMBL1771292 | phenyl-sulfonamido-farnesylcystein...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H35NO4S2/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-30-18-23(24(26)27)25-31(28,29)22-14-6-5-7-15-22/h5-7,10,12,14-16,23,25H,8-9,11,13,17-18H2,1-4H3,(H,26,27)/b20-12+,21-16+/t23-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342743
PNG
((R)-2-(2-phenoxyphenylsulfonamido)-3-(3,7,11-trime...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C30H39NO5S2/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-27(30(32)33)31-38(34,35)29-19-9-8-18-28(29)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,27,31H,10-11,13,15,21-22H2,1-4H3,(H,32,33)/b24-14+,25-20+/t27-/m0/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50353182
PNG
(CHEMBL1829501)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cn(-[#6]-[#6@H](-[#7]-[#6](=O)-c2ccccc2-[#8]-c2ccccc2)-[#6](-[#8])=O)nn1 |r|
Show InChI InChI=1S/C33H40N4O4/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-27-22-37(36-35-27)23-30(33(39)40)34-32(38)29-18-8-9-19-31(29)41-28-16-6-5-7-17-28/h5-9,12,14,16-20,22,30H,10-11,13,15,21,23H2,1-4H3,(H,34,38)(H,39,40)/b25-14+,26-20+/t30-/m0/s1
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n/an/a 1.94E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT by vapor diffusion assay


Bioorg Med Chem Lett 21: 5616-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.053
BindingDB Entry DOI: 10.7270/Q2Q240MD
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))
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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n/an/a 2.55E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50384450
PNG
(CHEMBL2035531)
Show SMILES COC(=O)CCSC\C=C(/C)CCn1cc(CCc2cccc(c2)-c2ccccc2)nn1
Show InChI InChI=1S/C26H31N3O2S/c1-21(14-17-32-18-15-26(30)31-2)13-16-29-20-25(27-28-29)12-11-22-7-6-10-24(19-22)23-8-4-3-5-9-23/h3-10,14,19-20H,11-13,15-18H2,1-2H3/b21-14+
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50353183
PNG
(CHEMBL1829491)
Show SMILES CCCCCCCCc1ccc(CC\C(C)=C\CSC[C@H](NC(C)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H39NO3S/c1-4-5-6-7-8-9-10-22-13-15-23(16-14-22)12-11-20(2)17-18-30-19-24(25(28)29)26-21(3)27/h13-17,24H,4-12,18-19H2,1-3H3,(H,26,27)(H,28,29)/b20-17+/t24-/m0/s1
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n/an/a 3.46E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT by vapor diffusion assay


Bioorg Med Chem Lett 21: 5616-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.053
BindingDB Entry DOI: 10.7270/Q2Q240MD
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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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))
BDBM50384448
PNG
(CHEMBL2035527)
Show SMILES COC(=O)CCSC\C=C(/C)CCn1cc(CCc2ccccc2)nn1
Show InChI InChI=1S/C20H27N3O2S/c1-17(11-14-26-15-12-20(24)25-2)10-13-23-16-19(21-22-23)9-8-18-6-4-3-5-7-18/h3-7,11,16H,8-10,12-15H2,1-2H3/b17-11+
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n/an/a 4.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
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))
BDBM50384451
PNG
(CHEMBL2035738)
Show SMILES C\C(CCn1cc(CCOC2CCCCO2)nn1)=C/CSCCC(O)=O
Show InChI InChI=1S/C18H29N3O4S/c1-15(7-12-26-13-8-17(22)23)5-9-21-14-16(19-20-21)6-11-25-18-4-2-3-10-24-18/h7,14,18H,2-6,8-13H2,1H3,(H,22,23)/b15-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
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