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Found 38 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl transferase type 1' AND taxid = 10090   
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
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM31423
PNG
(ethylenediamine scaffold, 4)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H40N8O4S/c1-29(2,3)41-28(38)35-12-10-24(11-13-35)18-37(42(39,40)27-20-33(4)22-32-27)15-14-36(19-26-17-31-21-34(26)5)25-8-6-23(16-30)7-9-25/h6-9,17,20-22,24H,10-15,18-19H2,1-5H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327998
PNG
(CHEMBL1258350 | N-(2-((4-cyano-2-fluorophenyl)((1-...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H31FN6O2S/c1-31-20-29-17-23(31)19-32(25-11-10-22(16-28)15-24(25)27)13-14-33(18-21-7-3-2-4-8-21)36(34,35)26-9-5-6-12-30-26/h5-6,9-12,15,17,20-21H,2-4,7-8,13-14,18-19H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327997
PNG
(CHEMBL1258232 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H32N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h5-6,9-14,18,21,23H,2-4,7-8,15-16,19-20H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327978
PNG
(CHEMBL1257299 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC#C
Show InChI InChI=1S/C21H23N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h1,5-8,13,15-17H,9-11,14H2,2-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327972
PNG
(1-methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cnc[nH]1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H26N6O2S/c1-27-17-23(26-19-27)32(30,31)29(15-20-8-4-2-5-9-20)13-12-28(16-21-14-24-18-25-21)22-10-6-3-7-11-22/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13315
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1
Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13314
PNG
(5-Dimethylaminonaphthalene-1-sulfonic Acid Benzyl-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C33H34N6O2S/c1-36(2)32-13-7-12-31-30(32)11-8-14-33(31)42(40,41)39(23-27-9-5-4-6-10-27)20-19-38(24-29-22-35-25-37(29)3)28-17-15-26(21-34)16-18-28/h4-18,22,25H,19-20,23-24H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327993
PNG
(1-methyl-1H-imidazole-4-sulfonic acid biphenyl-3-y...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C31H31N7O2S/c1-35-22-31(34-24-35)41(39,40)38(20-26-7-6-10-28(17-26)27-8-4-3-5-9-27)16-15-37(21-30-19-33-23-36(30)2)29-13-11-25(18-32)12-14-29/h3-14,17,19,22-24H,15-16,20-21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327994
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C29H30N8O2S/c1-33-21-29(32-23-33)40(38,39)37(19-25-7-11-26(12-8-25)35-13-3-4-14-35)16-15-36(20-28-18-31-22-34(28)2)27-9-5-24(17-30)6-10-27/h3-14,18,21-23H,15-16,19-20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13318
PNG
(N-(4-cyanobenzyl)-N-(2-{(4-cyanophenyl)[(1-methyl-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N8O2S/c1-31-18-26(30-20-31)37(35,36)34(16-23-5-3-21(13-27)4-6-23)12-11-33(17-25-15-29-19-32(25)2)24-9-7-22(14-28)8-10-24/h3-10,15,18-20H,11-12,16-17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327996
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C28H34N10O2S/c1-34-20-27(33-22-34)41(39,40)38(18-24-8-12-36(13-9-24)28-31-10-3-11-32-28)15-14-37(19-26-17-30-21-35(26)2)25-6-4-23(16-29)5-7-25/h3-7,10-11,17,20-22,24H,8-9,12-15,18-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327988
PNG
(CHEMBL1257890 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cc1noc(C)c1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C24H28N8O3S/c1-18-23(19(2)35-28-18)14-32(36(33,34)24-15-29(3)17-27-24)10-9-31(13-22-12-26-16-30(22)4)21-7-5-20(11-25)6-8-21/h5-8,12,15-17H,9-10,13-14H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327984
PNG
(CHEMBL1257647 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccoc1
Show InChI InChI=1S/C23H25N7O3S/c1-27-15-23(26-18-27)34(31,32)30(13-20-7-10-33-16-20)9-8-29(14-22-12-25-17-28(22)2)21-5-3-19(11-24)4-6-21/h3-7,10,12,15-18H,8-9,13-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327995
PNG
(CHEMBL1258682 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CC1
Show InChI InChI=1S/C22H27N7O2S/c1-26-15-22(25-17-26)32(30,31)29(13-19-3-4-19)10-9-28(14-21-12-24-16-27(21)2)20-7-5-18(11-23)6-8-20/h5-8,12,15-17,19H,3-4,9-10,13-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13311
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C26H29N7O2S/c1-21-6-4-5-7-23(21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327983
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CCn1cccc1
Show InChI InChI=1S/C24H28N8O2S/c1-28-18-24(27-20-28)35(33,34)32(13-11-30-9-3-4-10-30)14-12-31(17-23-16-26-19-29(23)2)22-7-5-21(15-25)6-8-22/h3-10,16,18-20H,11-14,17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327990
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cc1cccc(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C26H29N7O2S/c1-21-5-4-6-23(13-21)16-33(36(34,35)26-18-30(2)20-29-26)12-11-32(17-25-15-28-19-31(25)3)24-9-7-22(14-27)8-10-24/h4-10,13,15,18-20H,11-12,16-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13317
PNG
(N-tert-butyl-2-({2-[(4-cyanophenyl)[(1-methyl-1H-i...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC(=O)NC(C)(C)C
Show InChI InChI=1S/C24H32N8O3S/c1-24(2,3)28-22(33)15-32(36(34,35)23-16-29(4)18-27-23)11-10-31(14-21-13-26-17-30(21)5)20-8-6-19(12-25)7-9-20/h6-9,13,16-18H,10-11,14-15H2,1-5H3,(H,28,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327987
PNG
(CHEMBL1257889 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccs1
Show InChI InChI=1S/C23H25N7O2S2/c1-27-16-23(26-18-27)34(31,32)30(15-22-4-3-11-33-22)10-9-29(14-21-13-25-17-28(21)2)20-7-5-19(12-24)6-8-20/h3-8,11,13,16-18H,9-10,14-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327977
PNG
(CHEMBL379511 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H28N6O2S/c1-34-23-32-20-28(34)22-35(27-14-12-24(19-31)13-15-27)17-18-36(21-25-7-3-2-4-8-25)39(37,38)29-11-5-9-26-10-6-16-33-30(26)29/h2-16,20,23H,17-18,21-22H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327981
PNG
(1-methyl-1H-imidazole-4-sulfonic acid (2-bromoally...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC(Br)=C
Show InChI InChI=1S/C21H24BrN7O2S/c1-17(22)12-29(32(30,31)21-14-26(2)16-25-21)9-8-28(13-20-11-24-15-27(20)3)19-6-4-18(10-23)5-7-19/h4-7,11,14-16H,1,8-9,12-13H2,2-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327973
PNG
(1-methyl-1H-imidazole-4-sulfonic acid benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cnc[nH]1)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C23H25BrN6O2S/c1-28-16-23(27-18-28)33(31,32)30(14-19-5-3-2-4-6-19)12-11-29(15-21-13-25-17-26-21)22-9-7-20(24)8-10-22/h2-10,13,16-18H,11-12,14-15H2,1H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327991
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cc1ccc(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)cc1
Show InChI InChI=1S/C26H29N7O2S/c1-21-4-6-23(7-5-21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327980
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES CC(=C)CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C22H27N7O2S/c1-18(2)13-29(32(30,31)22-15-26(3)17-25-22)10-9-28(14-21-12-24-16-27(21)4)20-7-5-19(11-23)6-8-20/h5-8,12,15-17H,1,9-10,13-14H2,2-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327979
PNG
(1-methyl-1H-imidazole-4-sulfonic acid allyl-{2-[(4...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC=C
Show InChI InChI=1S/C21H25N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h4-8,13,15-17H,1,9-11,14H2,2-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327974
PNG
(CHEMBL1258797 | N-Benzyl,N-{2-[(4-Cyanophenyl)-(3-...)
Show SMILES CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O2S/c1-3-15-32(30,31)29(18-22-7-5-4-6-8-22)14-13-28(19-24-17-26-20-27(24)2)23-11-9-21(16-25)10-12-23/h4-12,17,20H,3,13-15,18-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327975
PNG
(CHEMBL215475 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccs1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N5O2S2/c1-28-20-27-17-24(28)19-29(23-11-9-21(16-26)10-12-23)13-14-30(18-22-6-3-2-4-7-22)34(31,32)25-8-5-15-33-25/h2-12,15,17,20H,13-14,18-19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327976
PNG
(CHEMBL215476 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h2-14,18,21H,15-16,19-20H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327989
PNG
(CHEMBL1257999 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cc1nc(C)c(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)s1
Show InChI InChI=1S/C24H28N8O2S2/c1-18-23(35-19(2)28-18)14-32(36(33,34)24-15-29(3)17-27-24)10-9-31(13-22-12-26-16-30(22)4)21-7-5-20(11-25)6-8-21/h5-8,12,15-17H,9-10,13-14H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327992
PNG
(1-methyl-1H-imidazole-4-sulfonic acid (3-cyanobenz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H26N8O2S/c1-31-18-26(30-20-31)37(35,36)34(16-23-5-3-4-22(12-23)14-28)11-10-33(17-25-15-29-19-32(25)2)24-8-6-21(13-27)7-9-24/h3-9,12,15,18-20H,10-11,16-17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327982
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccncc1
Show InChI InChI=1S/C24H26N8O2S/c1-29-17-24(28-19-29)35(33,34)32(15-21-7-9-26-10-8-21)12-11-31(16-23-14-27-18-30(23)2)22-5-3-20(13-25)4-6-22/h3-10,14,17-19H,11-12,15-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327985
PNG
(CHEMBL452319 | N-(2-((4-cyanophenyl)((1-methyl-1H-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccsc1
Show InChI InChI=1S/C23H25N7O2S2/c1-27-15-23(26-18-27)34(31,32)30(13-20-7-10-33-16-20)9-8-29(14-22-12-25-17-28(22)2)21-5-3-19(11-24)4-6-21/h3-7,10,12,15-18H,8-9,13-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13316
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Biphenyl-4-y...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H31N7O2S/c1-35-22-31(34-24-35)41(39,40)38(20-26-8-12-28(13-9-26)27-6-4-3-5-7-27)17-16-37(21-30-19-33-23-36(30)2)29-14-10-25(18-32)11-15-29/h3-15,19,22-24H,16-17,20-21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327986
PNG
(CHEMBL1257770 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccco1
Show InChI InChI=1S/C23H25N7O3S/c1-27-16-23(26-18-27)34(31,32)30(15-22-4-3-11-33-22)10-9-29(14-21-13-25-17-28(21)2)20-7-5-19(12-24)6-8-20/h3-8,11,13,16-18H,9-10,14-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13307
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM50327999
PNG
(CHEMBL1258351 | N-(2-((5-cyanopyridin-2-yl)((1-met...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cn1)C#N
Show InChI InChI=1S/C25H31N7O2S/c1-30-20-27-17-23(30)19-31(24-11-10-22(15-26)16-29-24)13-14-32(18-21-7-3-2-4-8-21)35(33,34)25-9-5-6-12-28-25/h5-6,9-12,16-17,20-21H,2-4,7-8,13-14,18-19H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)

More data for this
Ligand-Target Pair