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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'Geranylgeranyl Transferase (GGTase-I)'   
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
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14434
PNG
(6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3
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PubMed
n/an/an/an/an/an/an/a7.522



Janssen Research Foundation



Assay Description
Compounds were tested as inhibitors of GGTase-1 in vitro using purified human enzyme to catalyze the reaction between [3H] GGPP and a biotinylated pe...


Cancer Res 61: 131-7 (2001)


BindingDB Entry DOI: 10.7270/Q20C4T2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM17335
PNG
(1-[(2R)-2-{[(4-cyanophenyl)methyl](methyl)amino}-3...)
Show SMILES CN(Cc1ccc(cc1)C#N)[C@H](Cc1cncn1C)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12
Show InChI InChI=1S/C32H30N6O/c1-36(20-24-12-10-23(17-33)11-13-24)31(16-27-19-35-22-37(27)2)32(39)38-15-14-26(18-34)30(21-38)29-9-5-7-25-6-3-4-8-28(25)29/h3-13,19,22,31H,14-16,20-21H2,1-2H3/t31-/m1/s1
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-R...


Bioorg Med Chem Lett 13: 1359-62 (2003)


Article DOI: 10.1016/S0960-894X(03)00095-7
BindingDB Entry DOI: 10.7270/Q2QJ7FK9
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM17333
PNG
(1-[(2R)-2-{[(4-cyanophenyl)methyl]amino}-3-(1-meth...)
Show SMILES Cn1cncc1C[C@@H](NCc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12
Show InChI InChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m1/s1
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-R...


Bioorg Med Chem Lett 13: 1359-62 (2003)


Article DOI: 10.1016/S0960-894X(03)00095-7
BindingDB Entry DOI: 10.7270/Q2QJ7FK9
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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Article
PubMed
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]...


J Biol Chem 281: 12445-50 (2006)


Article DOI: 10.1074/jbc.M600168200
BindingDB Entry DOI: 10.7270/Q2PC30N8
More data for this
Ligand-Target Pair