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Compile Data Set for Download or QSAR

Found 19 hits from Department of Chemistry and School of Molecular Science(BK21)   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM13373
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C22H34N4O5S2/c1-13(2)18(26-19(27)15(23)12-32)21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-16(22(30)31)9-10-33-3/h4-8,13,15-18,32H,9-12,23H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17-,18-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114333
PNG
(3-Methyl-but-2-enoic acid 4-{(S)-2-[(S)-2-((R)-2-a...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)C=C(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C23H33N3O6S/c1-13(2)10-19(27)32-16-8-6-15(7-9-16)11-18(23(30)31-5)25-22(29)20(14(3)4)26-21(28)17(24)12-33/h6-10,14,17-18,20,33H,11-12,24H2,1-5H3,(H,25,29)(H,26,28)/t17-,18-,20-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114334
PNG
(3-Methyl-butyric acid 4-{(S)-2-[(S)-2-((R)-2-amino...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)CC(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C23H35N3O6S/c1-13(2)10-19(27)32-16-8-6-15(7-9-16)11-18(23(30)31-5)25-22(29)20(14(3)4)26-21(28)17(24)12-33/h6-9,13-14,17-18,20,33H,10-12,24H2,1-5H3,(H,25,29)(H,26,28)/t17-,18-,20-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114335
PNG
(4-Chloro-benzoic acid (S)-2-[(S)-2-((R)-2-amino-3-...)
Show SMILES COC(=O)[C@H](COC(=O)c1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C19H26ClN3O6S/c1-10(2)15(23-16(24)13(21)9-30)17(25)22-14(19(27)28-3)8-29-18(26)11-4-6-12(20)7-5-11/h4-7,10,13-15,30H,8-9,21H2,1-3H3,(H,22,25)(H,23,24)/t13-,14-,15-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114332
PNG
(Benzoic acid (S)-2-[(S)-2-((R)-2-amino-3-mercapto-...)
Show SMILES COC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C19H27N3O6S/c1-11(2)15(22-16(23)13(20)10-29)17(24)21-14(19(26)27-3)9-28-18(25)12-7-5-4-6-8-12/h4-8,11,13-15,29H,9-10,20H2,1-3H3,(H,21,24)(H,22,23)/t13-,14-,15-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114324
PNG
(4-Methyl-benzoic acid (S)-2-[(S)-2-((R)-2-amino-3-...)
Show SMILES COC(=O)[C@H](COC(=O)c1ccc(C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C20H29N3O6S/c1-11(2)16(23-17(24)14(21)10-30)18(25)22-15(20(27)28-4)9-29-19(26)13-7-5-12(3)6-8-13/h5-8,11,14-16,30H,9-10,21H2,1-4H3,(H,22,25)(H,23,24)/t14-,15-,16-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114330
PNG
(Benzoic acid 3-{(S)-2-[(S)-2-((R)-2-amino-3-mercap...)
Show SMILES COC(=O)[C@H](Cc1cccc(OC(=O)c2ccccc2)c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C25H31N3O6S/c1-15(2)21(28-22(29)19(26)14-35)23(30)27-20(25(32)33-3)13-16-8-7-11-18(12-16)34-24(31)17-9-5-4-6-10-17/h4-12,15,19-21,35H,13-14,26H2,1-3H3,(H,27,30)(H,28,29)/t19-,20-,21-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114326
PNG
(4-Methoxy-benzoic acid (S)-2-[(S)-2-((R)-2-amino-3...)
Show SMILES COC(=O)[C@H](COC(=O)c1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C20H29N3O7S/c1-11(2)16(23-17(24)14(21)10-31)18(25)22-15(20(27)29-4)9-30-19(26)12-5-7-13(28-3)8-6-12/h5-8,11,14-16,31H,9-10,21H2,1-4H3,(H,22,25)(H,23,24)/t14-,15-,16-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50058201
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C23H36N4O5S2/c1-14(2)19(27-20(28)16(24)13-33)22(30)26-18(12-15-8-6-5-7-9-15)21(29)25-17(10-11-34-4)23(31)32-3/h5-9,14,16-19,33H,10-13,24H2,1-4H3,(H,25,29)(H,26,30)(H,27,28)/t16-,17-,18-,19-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114325
PNG
(CHEMBL40437 | Hexanoic acid 4-{(S)-2-[(S)-2-((R)-2...)
Show SMILES CCCCCC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)OC)cc1
Show InChI InChI=1S/C24H37N3O6S/c1-5-6-7-8-20(28)33-17-11-9-16(10-12-17)13-19(24(31)32-4)26-23(30)21(15(2)3)27-22(29)18(25)14-34/h9-12,15,18-19,21,34H,5-8,13-14,25H2,1-4H3,(H,26,30)(H,27,29)/t18-,19-,21-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114320
PNG
(3,7-Dimethyl-octanoic acid 4-{(S)-2-[(S)-2-((R)-2-...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)CC(C)CCCC(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C28H45N3O6S/c1-17(2)8-7-9-19(5)14-24(32)37-21-12-10-20(11-13-21)15-23(28(35)36-6)30-27(34)25(18(3)4)31-26(33)22(29)16-38/h10-13,17-19,22-23,25,38H,7-9,14-16,29H2,1-6H3,(H,30,34)(H,31,33)/t19?,22-,23-,25-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114319
PNG
(3-Methyl-but-2-enoic acid 3-{(S)-2-[(S)-2-((R)-2-a...)
Show SMILES COC(=O)[C@H](Cc1cccc(OC(=O)C=C(C)C)c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C23H33N3O6S/c1-13(2)9-19(27)32-16-8-6-7-15(10-16)11-18(23(30)31-5)25-22(29)20(14(3)4)26-21(28)17(24)12-33/h6-10,14,17-18,20,33H,11-12,24H2,1-5H3,(H,25,29)(H,26,28)/t17-,18-,20-/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114329
PNG
((S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamin...)
Show SMILES COC(=O)[C@H](Cc1cccc(OC(=O)C(C)C)c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C22H33N3O6S/c1-12(2)18(25-19(26)16(23)11-32)20(27)24-17(22(29)30-5)10-14-7-6-8-15(9-14)31-21(28)13(3)4/h6-9,12-13,16-18,32H,10-11,23H2,1-5H3,(H,24,27)(H,25,26)/t16-,17-,18-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114321
PNG
((S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamin...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)C(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C22H33N3O6S/c1-12(2)18(25-19(26)16(23)11-32)20(27)24-17(22(29)30-5)10-14-6-8-15(9-7-14)31-21(28)13(3)4/h6-9,12-13,16-18,32H,10-11,23H2,1-5H3,(H,24,27)(H,25,26)/t16-,17-,18-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114327
PNG
((E)-3-Phenyl-acrylic acid 3-{(S)-2-[(S)-2-((R)-2-a...)
Show SMILES COC(=O)[C@H](Cc1cccc(OC(=O)\C=C\c2ccccc2)c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C27H33N3O6S/c1-17(2)24(30-25(32)21(28)16-37)26(33)29-22(27(34)35-3)15-19-10-7-11-20(14-19)36-23(31)13-12-18-8-5-4-6-9-18/h4-14,17,21-22,24,37H,15-16,28H2,1-3H3,(H,29,33)(H,30,32)/b13-12+/t21-,22-,24-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114322
PNG
(Benzoic acid 4-{(S)-2-[(S)-2-((R)-2-amino-3-mercap...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C25H31N3O6S/c1-15(2)21(28-22(29)19(26)14-35)23(30)27-20(25(32)33-3)13-16-9-11-18(12-10-16)34-24(31)17-7-5-4-6-8-17/h4-12,15,19-21,35H,13-14,26H2,1-3H3,(H,27,30)(H,28,29)/t19-,20-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114328
PNG
(CHEMBL40990 | Octanoic acid 4-{(S)-2-[(S)-2-((R)-2...)
Show SMILES CCCCCCCC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)OC)cc1
Show InChI InChI=1S/C26H41N3O6S/c1-5-6-7-8-9-10-22(30)35-19-13-11-18(12-14-19)15-21(26(33)34-4)28-25(32)23(17(2)3)29-24(31)20(27)16-36/h11-14,17,20-21,23,36H,5-10,15-16,27H2,1-4H3,(H,28,32)(H,29,31)/t20-,21-,23-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114323
PNG
((E)-3-Phenyl-acrylic acid 4-{(S)-2-[(S)-2-((R)-2-a...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)\C=C\c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C27H33N3O6S/c1-17(2)24(30-25(32)21(28)16-37)26(33)29-22(27(34)35-3)15-19-9-12-20(13-10-19)36-23(31)14-11-18-7-5-4-6-8-18/h4-14,17,21-22,24,37H,15-16,28H2,1-3H3,(H,29,33)(H,30,32)/b14-11+/t21-,22-,24-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114331
PNG
((S)-3-(4-Acetoxy-phenyl)-2-[(S)-2-((R)-2-amino-3-m...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C20H29N3O6S/c1-11(2)17(23-18(25)15(21)10-30)19(26)22-16(20(27)28-4)9-13-5-7-14(8-6-13)29-12(3)24/h5-8,11,15-17,30H,9-10,21H2,1-4H3,(H,22,26)(H,23,25)/t15-,16-,17-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair