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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'tashiro' and Initial = 'e'   
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 kinase C delta type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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87n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCdelta-C1B domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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360n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCeta-C1B domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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480n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCepsilon-C1B domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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600n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCalpha-C1A domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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660n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCgamma-C1A domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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730n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCbeta-C1A domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM50282567
PNG
(3,4-Dichlorophenyl boronic acid | 3,4-dichloro ben...)
Show SMILES OB(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
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n/an/a 138n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92722
PNG
(Phenylboronic acid, 15)
Show SMILES OB(O)c1cc(Oc2ccccc2)ccc1I
Show InChI InChI=1S/C12H10BIO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,15-16H
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n/an/a 238n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92718
PNG
(Phenylboronic acid, 10)
Show SMILES OB(O)c1cccc(Cl)c1
Show InChI InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
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n/an/a 418n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92717
PNG
(Phenylboronic acid, 8)
Show SMILES OB(O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
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n/an/a 510n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 529n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM50282567
PNG
(3,4-Dichlorophenyl boronic acid | 3,4-dichloro ben...)
Show SMILES OB(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92718
PNG
(Phenylboronic acid, 10)
Show SMILES OB(O)c1cccc(Cl)c1
Show InChI InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92719
PNG
(Phenylboronic acid, 12)
Show SMILES NCCOB(c1ccccc1)c1cccc(COCc2cccc(c2)B(OCCN)c2ccccc2)c1
Show InChI InChI=1S/C30H34B2N2O3/c33-17-19-36-31(27-11-3-1-4-12-27)29-15-7-9-25(21-29)23-35-24-26-10-8-16-30(22-26)32(37-20-18-34)28-13-5-2-6-14-28/h1-16,21-22H,17-20,23-24,33-34H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92721
PNG
(Phenylboronic acid, 14)
Show SMILES CN(C)CCOB(c1ccccc1)c1cccc(COCc2cccc(c2)B(OCCN(C)C)c2ccccc2)c1
Show InChI InChI=1S/C34H42B2N2O3/c1-37(2)21-23-40-35(31-15-7-5-8-16-31)33-19-11-13-29(25-33)27-39-28-30-14-12-20-34(26-30)36(41-24-22-38(3)4)32-17-9-6-10-18-32/h5-20,25-26H,21-24,27-28H2,1-4H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92717
PNG
(Phenylboronic acid, 8)
Show SMILES OB(O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
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n/an/a 1.97E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92727
PNG
(Phenylboronic acid, 20)
Show SMILES OB(O)c1cscc1Br
Show InChI InChI=1S/C4H4BBrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2,7-8H
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n/an/a 1.98E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92726
PNG
(Phenylboronic acid, 19)
Show SMILES Cc1ccc(Br)c(c1)B(O)O
Show InChI InChI=1S/C7H8BBrO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 2.30E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92719
PNG
(Phenylboronic acid, 12)
Show SMILES NCCOB(c1ccccc1)c1cccc(COCc2cccc(c2)B(OCCN)c2ccccc2)c1
Show InChI InChI=1S/C30H34B2N2O3/c33-17-19-36-31(27-11-3-1-4-12-27)29-15-7-9-25(21-29)23-35-24-26-10-8-16-30(22-26)32(37-20-18-34)28-13-5-2-6-14-28/h1-16,21-22H,17-20,23-24,33-34H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92720
PNG
(Phenylboronic acid, 13)
Show SMILES NCCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN)c2ccccc2)cc1
Show InChI InChI=1S/C30H34B2N2O3/c33-19-21-36-31(27-7-3-1-4-8-27)29-15-11-25(12-16-29)23-35-24-26-13-17-30(18-14-26)32(37-22-20-34)28-9-5-2-6-10-28/h1-18H,19-24,33-34H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92724
PNG
(Phenylboronic acid, 17)
Show SMILES CC(=O)c1cccc(c1)B(O)O
Show InChI InChI=1S/C8H9BO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,11-12H,1H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92723
PNG
(Phenylboronic acid, 16)
Show SMILES COC(=O)c1cc(cc(c1)N(=O)=O)B(O)O
Show InChI InChI=1S/C8H8BNO6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4,12-13H,1H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92721
PNG
(Phenylboronic acid, 14)
Show SMILES CN(C)CCOB(c1ccccc1)c1cccc(COCc2cccc(c2)B(OCCN(C)C)c2ccccc2)c1
Show InChI InChI=1S/C34H42B2N2O3/c1-37(2)21-23-40-35(31-15-7-5-8-16-31)33-19-11-13-29(25-33)27-39-28-30-14-12-20-34(26-30)36(41-24-22-38(3)4)32-17-9-6-10-18-32/h5-20,25-26H,21-24,27-28H2,1-4H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92722
PNG
(Phenylboronic acid, 15)
Show SMILES OB(O)c1cc(Oc2ccccc2)ccc1I
Show InChI InChI=1S/C12H10BIO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,15-16H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM26132
PNG
((4-phenylphenyl)boranediol | Phenylboronic Acid, 1...)
Show SMILES OB(O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
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n/an/a 3.55E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92723
PNG
(Phenylboronic acid, 16)
Show SMILES COC(=O)c1cc(cc(c1)N(=O)=O)B(O)O
Show InChI InChI=1S/C8H8BNO6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4,12-13H,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92724
PNG
(Phenylboronic acid, 17)
Show SMILES CC(=O)c1cccc(c1)B(O)O
Show InChI InChI=1S/C8H9BO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,11-12H,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92720
PNG
(Phenylboronic acid, 13)
Show SMILES NCCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN)c2ccccc2)cc1
Show InChI InChI=1S/C30H34B2N2O3/c33-19-21-36-31(27-7-3-1-4-8-27)29-15-11-25(12-16-29)23-35-24-26-13-17-30(18-14-26)32(37-22-20-34)28-9-5-2-6-10-28/h1-18H,19-24,33-34H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92725
PNG
(Phenylboronic acid, 18)
Show SMILES OB(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
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n/an/a 4.18E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92725
PNG
(Phenylboronic acid, 18)
Show SMILES OB(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
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n/an/a 4.60E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92726
PNG
(Phenylboronic acid, 19)
Show SMILES Cc1ccc(Br)c(c1)B(O)O
Show InChI InChI=1S/C7H8BBrO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92727
PNG
(Phenylboronic acid, 20)
Show SMILES OB(O)c1cscc1Br
Show InChI InChI=1S/C4H4BBrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2,7-8H
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n/an/a 1.02E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 1.13E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 1.35E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483440
PNG
(Moverastin A)
Show SMILES C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CCC(=C)[C@H](O)Cc1c(O)cc(C)c(C=O)c1O |r|
Show InChI InChI=1S/C23H32O5/c1-13(8-9-23(5)15(3)6-7-19(25)16(23)4)20(26)11-17-21(27)10-14(2)18(12-24)22(17)28/h10,12,15-16,20,26-28H,1,6-9,11H2,2-5H3/t15-,16+,20-,23+/m1/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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n/an/a 1.48E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM26132
PNG
((4-phenylphenyl)boranediol | Phenylboronic Acid, 1...)
Show SMILES OB(O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
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n/an/a 1.69E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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n/an/a 2.51E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM92728
PNG
(Phenylboronic acid, 7)
Show SMILES OB(c1ccccc1)c1cccc(COCc2cccc(c2)B(O)c2ccccc2)c1
Show InChI InChI=1S/C26H24B2O3/c29-27(23-11-3-1-4-12-23)25-15-7-9-21(17-25)19-31-20-22-10-8-16-26(18-22)28(30)24-13-5-2-6-14-24/h1-18,29-30H,19-20H2
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n/an/a 3.36E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM92728
PNG
(Phenylboronic acid, 7)
Show SMILES OB(c1ccccc1)c1cccc(COCc2cccc(c2)B(O)c2ccccc2)c1
Show InChI InChI=1S/C26H24B2O3/c29-27(23-11-3-1-4-12-23)25-15-7-9-21(17-25)19-31-20-22-10-8-16-26(18-22)28(30)24-13-5-2-6-14-24/h1-18,29-30H,19-20H2
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n/an/a 4.15E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM26137
PNG
((2-phenylphenyl)boranediol | Phenylboronic Acid, 1...)
Show SMILES OB(O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM26137
PNG
((2-phenylphenyl)boranediol | Phenylboronic Acid, 1...)
Show SMILES OB(O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...


Chembiochem 14: 115-22 (2013)


Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483443
PNG
(CHEMBL1683672)
Show SMILES C[C@H]1CCCC(C)(C)[C@H]1CCC1=CCc2c(O)cc(C)c(C=O)c2OC1 |r,t:12|
Show InChI InChI=1S/C23H32O3/c1-15-6-5-11-23(3,4)20(15)10-8-17-7-9-18-21(25)12-16(2)19(13-24)22(18)26-14-17/h7,12-13,15,20,25H,5-6,8-11,14H2,1-4H3/t15-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483445
PNG
(CHEMBL1683670)
Show SMILES CC(CC[C@H]1[C@@H](C)CCCC1(C)C)C(O)Cc1c(O)cc(C)c(C=O)c1O |r|
Show InChI InChI=1S/C23H36O4/c1-14-7-6-10-23(4,5)19(14)9-8-15(2)20(25)12-17-21(26)11-16(3)18(13-24)22(17)27/h11,13-15,19-20,25-27H,6-10,12H2,1-5H3/t14-,15?,19-,20?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483444
PNG
(CHEMBL1683675)
Show SMILES C[C@H]1CCCC(C)(C)[C@H]1CCC(=C)C(O)Cc1c(O)cc(C)cc1O |r|
Show InChI InChI=1S/C22H34O3/c1-14-11-20(24)17(21(25)12-14)13-19(23)16(3)8-9-18-15(2)7-6-10-22(18,4)5/h11-12,15,18-19,23-25H,3,6-10,13H2,1-2,4-5H3/t15-,18-,19?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483442
PNG
(CHEMBL1683668)
Show SMILES Cc1cccc(C)c1CCC(=C)C(O)Cc1c(O)cc(C)c(C=O)c1O
Show InChI InChI=1S/C22H26O4/c1-13-6-5-7-14(2)17(13)9-8-15(3)20(24)11-18-21(25)10-16(4)19(12-23)22(18)26/h5-7,10,12,20,24-26H,3,8-9,11H2,1-2,4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483441
PNG
(CHEMBL1683664)
Show SMILES C[C@H]1CCCC(C)(C)[C@H]1CCC(=C)C(O)Cc1c(O)cc(C)c(C=O)c1O |r|
Show InChI InChI=1S/C23H34O4/c1-14-7-6-10-23(4,5)19(14)9-8-15(2)20(25)12-17-21(26)11-16(3)18(13-24)22(17)27/h11,13-14,19-20,25-27H,2,6-10,12H2,1,3-5H3/t14-,19-,20?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483439
PNG
(CHEMBL1683674)
Show SMILES C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CCC(=C)C(O)Cc1c(O)cc(C)cc1O |r|
Show InChI InChI=1S/C22H32O4/c1-13-10-20(25)17(21(26)11-13)12-19(24)14(2)8-9-22(5)15(3)6-7-18(23)16(22)4/h10-11,15-16,19,24-26H,2,6-9,12H2,1,3-5H3/t15-,16+,19?,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50483438
PNG
(CHEMBL1683673)
Show SMILES COc1cc(C)c(C=O)c(O)c1CC(O)C(=C)CC[C@H]1[C@@H](C)CCCC1(C)C |r|
Show InChI InChI=1S/C24H36O4/c1-15-8-7-11-24(4,5)20(15)10-9-16(2)21(26)13-18-22(28-6)12-17(3)19(14-25)23(18)27/h12,14-15,20-21,26-27H,2,7-11,13H2,1,3-6H3/t15-,20-,21?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras


Bioorg Med Chem Lett 21: 1385-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.028
BindingDB Entry DOI: 10.7270/Q2SX6H2F
More data for this
Ligand-Target Pair
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