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Compile Data Set for Download or QSAR

Found 453 hits Enz. Inhib. hit(s) with Target = 'ras protein' 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
ras protein


(Homo sapiens)
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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10n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54575
PNG
(3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br
Show InChI InChI=1S/C23H25BrN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54606
PNG
(4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]be...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54578
PNG
(1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54606
PNG
(4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]be...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54578
PNG
(1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54542
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54549
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(3-phen...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54629
PNG
(2-chloranyl-5-[3-(4-methoxyphenyl)-5-phenyl-3,4-di...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H19ClN2O3/c1-29-18-10-7-16(8-11-18)22-14-21(15-5-3-2-4-6-15)25-26(22)17-9-12-20(24)19(13-17)23(27)28/h2-13,22H,14H2,1H3,(H,27,28)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54612
PNG
(2-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-5-(4-br...)
Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C22H17BrF2N2O2S/c23-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)27(26-20)18-10-12-19(13-11-18)30(28,29)22(24)25/h1-13,21-22H,14H2
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54545
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-m...)
Show SMILES COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-7-8-18(2)21(15-17)27-11-13-28(14-12-27)23(29)10-9-22-25-24(26-31-22)19-5-4-6-20(16-19)30-3/h4-8,15-16H,9-14H2,1-3H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54542
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54545
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-m...)
Show SMILES COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-7-8-18(2)21(15-17)27-11-13-28(14-12-27)23(29)10-9-22-25-24(26-31-22)19-5-4-6-20(16-19)30-3/h4-8,15-16H,9-14H2,1-3H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54551
PNG
(3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H25BrN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54547
PNG
(1-[4-(2-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C22H23ClN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54693
PNG
(UNM-0000305812 | cid_23675324 | sodium;(2R)-2-(6-m...)
Show SMILES COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m1/s1
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
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University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54603
PNG
(3-(4-methoxyphenyl)-1-phenyl-5-[2-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H19F3N2O/c1-29-18-13-11-16(12-14-18)21-15-22(28(27-21)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24,25)26/h2-14,22H,15H2,1H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54701
PNG
(1-(4-fluorophenyl)-3-phenyl-2-propyn-1-one | 1-(4-...)
Show SMILES Fc1ccc(cc1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H
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1.34E+3n/an/an/an/an/an/an/an/a


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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54621
PNG
(1-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C22H18F2N2O/c1-27-18-12-8-15(9-13-18)20-14-22(16-6-10-17(23)11-7-16)26(25-20)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54603
PNG
(3-(4-methoxyphenyl)-1-phenyl-5-[2-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H19F3N2O/c1-29-18-13-11-16(12-14-18)21-15-22(28(27-21)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24,25)26/h2-14,22H,15H2,1H3
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NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54701
PNG
(1-(4-fluorophenyl)-3-phenyl-2-propyn-1-one | 1-(4-...)
Show SMILES Fc1ccc(cc1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H
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4.84E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54685
PNG
(7-bromanyl-3-[3-(oxidanylamino)-1H-indol-2-yl]indo...)
Show SMILES ONc1c([nH]c2ccccc12)C1=c2cccc(Br)c2=NC1=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,20,22H
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5.85E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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))
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))
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))
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
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))
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
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