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Compile Data Set for Download or QSAR

Found 259 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl Transferase (GGTase-I)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13390
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COCc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-32-19-31-16-27(32)28(23-9-6-20(14-29)7-10-23)34-18-25-11-8-21(15-30)13-26(25)24-5-3-4-22(12-24)17-33-2/h3-13,16,19,28H,17-18H2,1-2H3
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n/an/a 0.190n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13389
PNG
(4-{[(4-cyanophenyl)methoxy](1-methyl-1H-imidazol-5...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(35-19-22-11-9-21(16-31)10-12-22)24-13-14-25(17-32)28(15-24)27-8-4-6-23-5-2-3-7-26(23)27/h2-15,18,20,30H,19H2,1H3
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n/an/a 0.300n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13384
PNG
(4-{[(R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)...)
Show SMILES COc1cccc(c1)-c1cc(ccc1CO[C@@H](c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3/t27-/m1/s1
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n/an/a 0.350n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13405
PNG
(3-(3-chlorophenyl)-4-{[(4-cyano-3-fluorophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C26H18ClFN4O/c1-32-16-31-14-25(32)26(19-7-8-20(13-30)24(28)11-19)33-15-21-6-5-17(12-29)9-23(21)18-3-2-4-22(27)10-18/h2-11,14,16,26H,15H2,1H3
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n/an/a 0.440n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13415
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NCc1cc(F)cc(F)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21F2N5O/c1-34-17-32-15-26(34)27(21-5-2-18(12-30)3-6-21)35-16-22-7-4-19(13-31)10-25(22)33-14-20-8-23(28)11-24(29)9-20/h2-11,15,17,27,33H,14,16H2,1H3
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n/an/a 0.610n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13388
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-3-33-25-6-4-5-23(14-25)26-13-21(16-30)9-12-24(26)18-34-28(27-17-31-19-32(27)2)22-10-7-20(15-29)8-11-22/h4-14,17,19,28H,3,18H2,1-2H3
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n/an/a 0.690n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13418
PNG
(A313326 Analogue 65 | N-(3-chlorophenyl)-5-cyano-2...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1C(=O)Nc1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20ClN5O2/c1-33-17-31-15-25(33)26(20-8-5-18(13-29)6-9-20)35-16-21-10-7-19(14-30)11-24(21)27(34)32-23-4-2-3-22(28)12-23/h2-12,15,17,26H,16H2,1H3,(H,32,34)
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n/an/a 0.75n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13383
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 0.75n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13406
PNG
(3-(3-chlorophenyl)-4-{[(4-cyano-2-fluorophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H18ClFN4O/c1-32-16-31-14-25(32)26(22-8-6-18(13-30)10-24(22)28)33-15-20-7-5-17(12-29)9-23(20)19-3-2-4-21(27)11-19/h2-11,14,16,26H,15H2,1H3
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n/an/a 0.770n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13375
PNG
(4-({[4-chloro-2-(3-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(18-7-5-17(13-28)6-8-18)31-15-20-9-10-22(27)12-23(20)19-3-2-4-21(26)11-19/h2-12,14,16,25H,15H2,1H3
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n/an/a 0.800n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13393
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc(OC(F)(F)F)cc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H19F3N4O2/c1-34-17-33-15-25(34)26(21-5-2-18(13-31)3-6-21)35-16-22-7-4-19(14-32)12-24(22)20-8-10-23(11-9-20)36-27(28,29)30/h2-12,15,17,26H,16H2,1H3
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n/an/a 0.840n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13386
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20N4O3/c1-31-16-30-14-24(31)27(20-5-2-18(12-28)3-6-20)32-15-22-7-4-19(13-29)10-23(22)21-8-9-25-26(11-21)34-17-33-25/h2-11,14,16,27H,15,17H2,1H3
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n/an/a 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13382
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1-methyl-1H...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClN4O/c1-31-17-30-15-25(31)26(20-8-5-18(13-28)6-9-20)32-16-22-10-7-19(14-29)11-24(22)21-3-2-4-23(27)12-21/h2-12,15,17,26H,16H2,1H3
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n/an/a 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13412
PNG
(A313326 Analogue 60a | N-(5-cyano-2-{[(4-cyanophen...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NS(=O)(=O)c1cccs1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H19N5O3S2/c1-29-16-27-14-22(29)24(19-7-4-17(12-25)5-8-19)32-15-20-9-6-18(13-26)11-21(20)28-34(30,31)23-3-2-10-33-23/h2-11,14,16,24,28H,15H2,1H3
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n/an/a 0.880n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13377
PNG
(4-({[4-chloro-2-(3-methoxyphenyl)phenyl]methoxy}(1...)
Show SMILES COc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H22ClN3O2/c1-30-17-29-15-25(30)26(19-8-6-18(14-28)7-9-19)32-16-21-10-11-22(27)13-24(21)20-4-3-5-23(12-20)31-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 0.910n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13380
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(24-12-9-21(16-31)10-13-24)35-19-25-14-11-22(17-32)15-28(25)27-8-4-6-23-5-2-3-7-26(23)27/h2-15,18,20,30H,19H2,1H3
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n/an/a 0.940n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13391
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(22-6-3-19(14-28)4-7-22)33-17-23-8-5-20(15-29)13-25(23)21-9-11-24(32-2)12-10-21/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 0.960n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13404
PNG
(4-{[(3-chloro-4-cyanophenyl)(1-methyl-1H-imidazol-...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(C#N)c(Cl)c1)C#N
Show InChI InChI=1S/C27H21ClN4O2/c1-32-17-31-15-26(32)27(20-8-9-21(14-30)25(28)12-20)34-16-22-7-6-18(13-29)10-24(22)19-4-3-5-23(11-19)33-2/h3-12,15,17,27H,16H2,1-2H3
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n/an/a 0.970n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13395
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cc(F)cc(F)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H18F2N4O/c1-32-16-31-14-25(32)26(19-5-2-17(12-29)3-6-19)33-15-20-7-4-18(13-30)8-24(20)21-9-22(27)11-23(28)10-21/h2-11,14,16,26H,15H2,1H3
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n/an/a 0.980n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13413
PNG
(A313326 Analogue 60b)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H23N5O3S/c1-19-3-11-24(12-4-19)36(33,34)31-25-13-21(15-29)7-10-23(25)17-35-27(26-16-30-18-32(26)2)22-8-5-20(14-28)6-9-22/h3-13,16,18,27,31H,17H2,1-2H3
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n/an/a 1n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13407
PNG
(3-(3-chlorophenyl)-4-{[(1-methyl-1H-imidazol-5-yl)...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O/c1-33-16-32-14-24(33)25(18-7-9-21(10-8-18)26(28,29)30)34-15-20-6-5-17(13-31)11-23(20)19-3-2-4-22(27)12-19/h2-12,14,16,25H,15H2,1H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13396
PNG
(4-({[2-(3-methoxyphenyl)-4-nitrophenyl]methoxy}(1-...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O
Show InChI InChI=1S/C26H22N4O4/c1-29-17-28-15-25(29)26(19-8-6-18(14-27)7-9-19)34-16-21-10-11-22(30(31)32)13-24(21)20-4-3-5-23(12-20)33-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13394
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O/c1-19-3-8-22(9-4-19)25-13-21(15-29)7-12-24(25)17-32-27(26-16-30-18-31(26)2)23-10-5-20(14-28)6-11-23/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13387
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OC(F)(F)Oc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H18F2N4O3/c1-33-16-32-14-23(33)26(19-5-2-17(12-30)3-6-19)34-15-21-7-4-18(13-31)10-22(21)20-8-9-24-25(11-20)36-27(28,29)35-24/h2-11,14,16,26H,15H2,1H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13378
PNG
(4-({[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy}(1-...)
Show SMILES CCOc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H24ClN3O2/c1-3-32-24-6-4-5-21(13-24)25-14-23(28)12-11-22(25)17-33-27(26-16-30-18-31(26)2)20-9-7-19(15-29)8-10-20/h4-14,16,18,27H,3,17H2,1-2H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13392
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES CCOc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-3-33-25-12-10-22(11-13-25)26-14-21(16-30)6-9-24(26)18-34-28(27-17-31-19-32(27)2)23-7-4-20(15-29)5-8-23/h4-14,17,19,28H,3,18H2,1-2H3
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n/an/a 1.20n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13379
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N4O/c1-30-18-29-16-25(30)26(22-10-7-19(14-27)8-11-22)31-17-23-12-9-20(15-28)13-24(23)21-5-3-2-4-6-21/h2-13,16,18,26H,17H2,1H3
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n/an/a 1.30n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM13382
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1-methyl-1H...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClN4O/c1-31-17-30-15-25(31)26(20-8-5-18(13-28)6-9-20)32-16-22-10-7-19(14-29)11-24(22)21-3-2-4-23(27)12-21/h2-12,15,17,26H,16H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13402
PNG
(4-({[4-formyl-2-(3-methoxyphenyl)phenyl]methoxy}(1...)
Show SMILES COc1cccc(c1)-c1cc(C=O)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N3O3/c1-30-18-29-15-26(30)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(16-31)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,15-16,18,27H,17H2,1-2H3
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n/an/a 1.60n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13409
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1,...)
Show SMILES Cc1ncc(C(OCc2ccc(cc2-c2ccc3OCOc3c2)C#N)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C28H22N4O3/c1-18-31-15-25(32(18)2)28(21-6-3-19(13-29)4-7-21)33-16-23-8-5-20(14-30)11-24(23)22-9-10-26-27(12-22)35-17-34-26/h3-12,15,28H,16-17H2,1-2H3
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n/an/a 1.60n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040692
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C20H40N4O4S/c1-7-13(6)17(19(26)23-15(20(27)28)8-11(2)3)24-18(25)16(12(4)5)22-9-14(21)10-29/h11-17,22,29H,7-10,21H2,1-6H3,(H,23,26)(H,24,25)(H,27,28)/t13-,14+,15-,16-,17-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)

More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13403
PNG
(4-{[(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)met...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C26H22ClN3O2/c1-30-17-29-15-25(30)26(19-8-10-22(27)11-9-19)32-16-21-7-6-18(14-28)12-24(21)20-4-3-5-23(13-20)31-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 2n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13408
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1,2-dimethy...)
Show SMILES Cc1ncc(C(OCc2ccc(cc2-c2cccc(Cl)c2)C#N)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C27H21ClN4O/c1-18-31-16-26(32(18)2)27(21-9-6-19(14-29)7-10-21)33-17-23-11-8-20(15-30)12-25(23)22-4-3-5-24(28)13-22/h3-13,16,27H,17H2,1-2H3
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n/an/a 2n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13417
PNG
(5-cyano-2-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1C(=O)Nc1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O2/c1-32-18-30-16-25(32)26(21-10-7-19(14-28)8-11-21)34-17-22-12-9-20(15-29)13-24(22)27(33)31-23-5-3-2-4-6-23/h2-13,16,18,26H,17H2,1H3,(H,31,33)
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n/an/a 2.20n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13414
PNG
(A313326 Analogue 60c | N-(5-cyano-2-{[(4-cyanophen...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NS(=O)(=O)c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H23N5O3S/c1-35-20-33-18-28(35)30(24-12-9-21(16-31)10-13-24)38-19-25-14-11-22(17-32)15-27(25)34-39(36,37)29-8-4-6-23-5-2-3-7-26(23)29/h2-15,18,20,30,34H,19H2,1H3
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n/an/a 2.60n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13410
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1,3-thiazol...)
Show SMILES Clc1cccc(c1)-c1cc(ccc1COC(c1cncs1)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C25H16ClN3OS/c26-22-3-1-2-20(11-22)23-10-18(13-28)6-9-21(23)15-30-25(24-14-29-16-31-24)19-7-4-17(12-27)5-8-19/h1-11,14,16,25H,15H2
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n/an/a 4n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13376
PNG
(4-({[4-chloro-2-(4-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1ccc(Cl)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(19-4-2-17(13-28)3-5-19)31-15-20-8-11-22(27)12-23(20)18-6-9-21(26)10-7-18/h2-12,14,16,25H,15H2,1H3
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n/an/a 4.80n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13416
PNG
(A313326 Analogue 62 | N-(5-cyano-2-{[(4-cyanopheny...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NC(=O)c1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O2/c1-32-18-30-16-25(32)26(21-10-7-19(14-28)8-11-21)34-17-23-12-9-20(15-29)13-24(23)31-27(33)22-5-3-2-4-6-22/h2-13,16,18,26H,17H2,1H3,(H,31,33)
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n/an/a 5n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13381
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc2cccnc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-27(34)29(23-10-7-20(15-30)8-11-23)35-18-24-12-9-21(16-31)14-26(24)25-6-2-4-22-5-3-13-33-28(22)25/h2-14,17,19,29H,18H2,1H3
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n/an/a 5.20n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14014
PNG
((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13
Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m0/s1
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n/an/a 5.5n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031179
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H27N3OS/c1-4-12(3)15(18-9-13(17)10-21)16(20)19-14-7-5-6-11(2)8-14/h5-8,12-13,15,18,21H,4,9-10,17H2,1-3H3,(H,19,20)/t12?,13-,15+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031169
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-12(19)9-23)16(22)21-7-11-5-4-6-13(17)14(11)18/h4-6,10,12,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,12-,15+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031167
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1C
Show InChI InChI=1S/C17H29N3OS/c1-5-11(2)16(19-9-14(18)10-22)17(21)20-15-8-6-7-12(3)13(15)4/h6-8,11,14,16,19,22H,5,9-10,18H2,1-4H3,(H,20,21)/t11?,14-,16+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14713
PNG
(GGTI-DU40 | N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{...)
Show SMILES CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H31Cl2N5O3S/c1-41-16-13-23-28(21-9-5-14-34-19-21)36-37(22-11-12-24(31)25(32)18-22)30(23)40-15-6-10-27(38)35-26(29(33)39)17-20-7-3-2-4-8-20/h2-5,7-9,11-12,14,18-19,26H,6,10,13,15-17H2,1H3,(H2,33,39)(H,35,38)/t26-/m0/s1
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n/an/a 8.24n/an/an/an/a7.730



Duke University Medical Center



Assay Description
Compounds were tested as inhibitors of FTase or GGTase-1 in vitro using purified recombinant mammalian enzymes to catalyze the reactions between [3H]...


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13374
PNG
(4-({[4-chloro-2-(2-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1ccccc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(18-8-6-17(13-28)7-9-18)31-15-19-10-11-20(26)12-22(19)21-4-2-3-5-23(21)27/h2-12,14,16,25H,15H2,1H3
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n/an/a 8.90n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031170
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-13(19)9-23)16(22)21-7-11-4-5-12(17)6-14(11)18/h4-6,10,13,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,13-,15+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50369371
PNG
(CHEMBL1790750)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C26H40N4O4S/c1-3-18(2)24(28-13-21(27)17-35)15-30(16-25(32)29-23(11-12-31)26(33)34)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,18,21,23-24,28,31,35H,3,11-17,27H2,1-2H3,(H,29,32)(H,33,34)/t18-,21-,23+,24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


Citation and Details
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13399
PNG
(A313326 Analogue 36 | N-(4-{[(4-cyanophenyl)(1-met...)
Show SMILES COCC(=O)Nc1ccc(COC(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
Show InChI InChI=1S/C29H28N4O4/c1-33-19-31-16-27(33)29(21-9-7-20(15-30)8-10-21)37-17-23-11-12-24(32-28(34)18-35-2)14-26(23)22-5-4-6-25(13-22)36-3/h4-14,16,19,29H,17-18H2,1-3H3,(H,32,34)
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n/an/a 11n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


Citation and Details
More data for this
Ligand-Target Pair
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