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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'harrison' and Initial = 'ml'   
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))
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))
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))
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))
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))
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