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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'yap' and Initial = 'sq'   
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
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433080
PNG
(CHEMBL2376504)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cnc(N)nc1
Show InChI InChI=1S/C25H37N5/c1-4-7-8-9-10-11-14-30-19-22(18-29(5-2)6-3)23-15-20(12-13-24(23)30)21-16-27-25(26)28-17-21/h12-13,15-17,19H,4-11,14,18H2,1-3H3,(H2,26,27,28)
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n/an/a 860n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433083
PNG
(CHEMBL2376433)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccncc1F
Show InChI InChI=1S/C26H36FN3/c1-4-7-8-9-10-11-16-30-20-22(19-29(5-2)6-3)24-17-21(12-13-26(24)30)23-14-15-28-18-25(23)27/h12-15,17-18,20H,4-11,16,19H2,1-3H3
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n/an/a 960n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433082
PNG
(CHEMBL2376434)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cncnc1
Show InChI InChI=1S/C25H36N4/c1-4-7-8-9-10-11-14-29-19-23(18-28(5-2)6-3)24-15-21(12-13-25(24)29)22-16-26-20-27-17-22/h12-13,15-17,19-20H,4-11,14,18H2,1-3H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433089
PNG
(CHEMBL2376427)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C27H37FN2/c1-4-7-8-9-10-11-17-30-21-24(20-29(5-2)6-3)26-19-23(15-16-27(26)30)22-13-12-14-25(28)18-22/h12-16,18-19,21H,4-11,17,20H2,1-3H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433084
PNG
(CHEMBL2376432)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C28H42N4/c1-6-9-10-11-12-13-18-32-22-25(21-31(7-2)8-3)26-19-23(14-16-27(26)32)24-15-17-28(29-20-24)30(4)5/h14-17,19-20,22H,6-13,18,21H2,1-5H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433087
PNG
(CHEMBL2376429)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(cc1)S(=O)(=O)NC
Show InChI InChI=1S/C28H41N3O2S/c1-5-8-9-10-11-12-19-31-22-25(21-30(6-2)7-3)27-20-24(15-18-28(27)31)23-13-16-26(17-14-23)34(32,33)29-4/h13-18,20,22,29H,5-12,19,21H2,1-4H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433088
PNG
(CHEMBL2376428)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H40N2O2S/c1-5-8-9-10-11-12-19-30-22-25(21-29(6-2)7-3)27-20-24(15-18-28(27)30)23-13-16-26(17-14-23)33(4,31)32/h13-18,20,22H,5-12,19,21H2,1-4H3
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n/an/a 1.72E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433085
PNG
(CHEMBL2376431)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C26H37N3/c1-4-7-8-9-10-11-17-29-21-24(20-28(5-2)6-3)25-18-22(14-15-26(25)29)23-13-12-16-27-19-23/h12-16,18-19,21H,4-11,17,20H2,1-3H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327696
PNG
(2-(1-octyl-5-m-tolyl-1H-indol-3-yl)acetamide | CHE...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327716
PNG
(CHEMBL1258659 | N-ethyl-N-((1-octyl-5-m-tolyl-1H-i...)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C28H40N2/c1-5-8-9-10-11-12-18-30-22-26(21-29(6-2)7-3)27-20-25(16-17-28(27)30)24-15-13-14-23(4)19-24/h13-17,19-20,22H,5-12,18,21H2,1-4H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433078
PNG
(CHEMBL2376506)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2ccc(F)cc12
Show InChI InChI=1S/C21H33FN2/c1-4-7-8-9-10-11-14-24-17-18(16-23(5-2)6-3)20-13-12-19(22)15-21(20)24/h12-13,15,17H,4-11,14,16H2,1-3H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433081
PNG
(CHEMBL2376435)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cnc(nc1)C#N
Show InChI InChI=1S/C26H35N5/c1-4-7-8-9-10-11-14-31-20-23(19-30(5-2)6-3)24-15-21(12-13-25(24)31)22-17-28-26(16-27)29-18-22/h12-13,15,17-18,20H,4-11,14,19H2,1-3H3
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n/an/a 2.26E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433077
PNG
(CHEMBL2376507)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cccc(F)c12
Show InChI InChI=1S/C21H33FN2/c1-4-7-8-9-10-11-15-24-17-18(16-23(5-2)6-3)19-13-12-14-20(22)21(19)24/h12-14,17H,4-11,15-16H2,1-3H3
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n/an/a 2.27E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433091
PNG
(CHEMBL2376425)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H37N3/c1-4-7-8-9-10-11-18-31-22-26(21-30(5-2)6-3)27-19-25(16-17-28(27)31)24-14-12-23(20-29)13-15-24/h12-17,19,22H,4-11,18,21H2,1-3H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433090
PNG
(CHEMBL2376426)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C27H37FN2/c1-4-7-8-9-10-13-18-30-21-23(20-29(5-2)6-3)25-19-22(16-17-27(25)30)24-14-11-12-15-26(24)28/h11-12,14-17,19,21H,4-10,13,18,20H2,1-3H3
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n/an/a 2.56E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433086
PNG
(CHEMBL2376430)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N2/c1-4-7-8-9-10-11-17-33-21-24(20-32(5-2)6-3)26-19-23(15-16-27(26)33)22-13-12-14-25(18-22)28(29,30)31/h12-16,18-19,21H,4-11,17,20H2,1-3H3
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n/an/a 2.61E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327738
PNG
(CHEMBL1257981 | N-ethyl-N-((5-fluoro-1-octyl-1H-in...)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(F)ccc12
Show InChI InChI=1S/C21H33FN2/c1-4-7-8-9-10-11-14-24-17-18(16-23(5-2)6-3)20-15-19(22)12-13-21(20)24/h12-13,15,17H,4-11,14,16H2,1-3H3
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n/an/a 4.42E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433079
PNG
(CHEMBL2376505)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2c(F)cccc12
Show InChI InChI=1S/C21H33FN2/c1-4-7-8-9-10-11-15-24-17-18(16-23(5-2)6-3)21-19(22)13-12-14-20(21)24/h12-14,17H,4-11,15-16H2,1-3H3
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n/an/a 4.83E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50433092
PNG
(CHEMBL2376424)
Show SMILES CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C27H38N2O/c1-4-7-8-9-10-11-17-29-21-24(20-28(5-2)6-3)26-19-23(15-16-27(26)29)22-13-12-14-25(30)18-22/h12-16,18-19,21,30H,4-11,17,20H2,1-3H3
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n/an/a 5.43E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-bi...


Eur J Med Chem 63: 378-86 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.007
BindingDB Entry DOI: 10.7270/Q25140M3
More data for this
Ligand-Target Pair