Found 18 hits with Last Name = 'simoneaux' and Initial = 'r' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175402
(CHEMBL371435 | N-(2,4-difluorobenzyl)-N-((4-(4-cya...)Show SMILES Cc1nnc(CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)n1Cc1ccc(cc1)C#N Show InChI InChI=1S/C29H22F2N6O/c1-19-34-35-28(37(19)16-21-8-6-20(15-32)7-9-21)18-36(17-23-10-12-24(30)14-25(23)31)29(38)27-13-11-22-4-2-3-5-26(22)33-27/h2-14H,16-18H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175406
(CHEMBL200291 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)Show SMILES [O-][N+](=O)c1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C28H21N7O3/c29-15-20-5-7-21(8-6-20)17-34-19-30-32-27(34)18-33(16-22-9-12-24(13-10-22)35(37)38)28(36)26-14-11-23-3-1-2-4-25(23)31-26/h1-14,19H,16-18H2 | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175395
(CHEMBL199965 | N-(2,4-difluorobenzyl)-N-((4-(4-cya...)Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3c2)c(F)c1 Show InChI InChI=1S/C29H21F2N5O/c30-26-12-11-25(27(31)14-26)17-35(29(37)24-10-9-22-3-1-2-4-23(22)13-24)18-28-34-33-19-36(28)16-21-7-5-20(15-32)6-8-21/h1-14,19H,16-18H2 | PDB
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PC cid
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| Article
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175407
(CHEMBL371484 | N-(2,4-difluorobenzyl)-N-((4-(4-cya...)Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1 Show InChI InChI=1S/C28H20F2N6O/c29-23-11-9-22(24(30)13-23)16-35(28(37)26-12-10-21-3-1-2-4-25(21)33-26)17-27-34-32-18-36(27)15-20-7-5-19(14-31)6-8-20/h1-13,18H,15-17H2 | PDB
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| Article
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175392
(CHEMBL371010 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C28H21FN6O/c29-24-12-9-22(10-13-24)16-34(28(36)26-14-11-23-3-1-2-4-25(23)32-26)18-27-33-31-19-35(27)17-21-7-5-20(15-30)6-8-21/h1-14,19H,16-18H2 | PDB
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175408
(CHEMBL371423 | N-(2,4-difluorobenzyl)-N-((4-((5-cy...)Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cn2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1 Show InChI InChI=1S/C27H19F2N7O/c28-21-8-6-20(23(29)11-21)14-35(27(37)25-10-7-19-3-1-2-4-24(19)33-25)16-26-34-32-17-36(26)15-22-9-5-18(12-30)13-31-22/h1-11,13,17H,14-16H2 | PDB
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| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175394
(CHEMBL200193 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)Show SMILES Fc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C29H23FN6O/c30-25-12-9-21(10-13-25)15-16-35(29(37)27-14-11-24-3-1-2-4-26(24)33-27)19-28-34-32-20-36(28)18-23-7-5-22(17-31)6-8-23/h1-14,20H,15-16,18-19H2 | PDB
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175400
(CHEMBL201315 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C29H23BrN6O/c30-25-12-9-21(10-13-25)15-16-35(29(37)27-14-11-24-3-1-2-4-26(24)33-27)19-28-34-32-20-36(28)18-23-7-5-22(17-31)6-8-23/h1-14,20H,15-16,18-19H2 | PDB
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175403
(CHEMBL201299 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C30H24BrN5O/c31-28-13-9-22(10-14-28)15-16-35(30(37)27-12-11-25-3-1-2-4-26(25)17-27)20-29-34-33-21-36(29)19-24-7-5-23(18-32)6-8-24/h1-14,17,21H,15-16,19-20H2 | PDB
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| Article
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| n/a | n/a | 28.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175401
(CHEMBL199468 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)Show SMILES O=C(N(Cc1nncn1Cc1ccc(cc1)C#N)c1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2n1 Show InChI InChI=1S/C33H24N6O2/c34-20-24-10-12-25(13-11-24)21-38-23-35-37-32(38)22-39(33(40)31-19-14-26-6-4-5-9-30(26)36-31)27-15-17-29(18-16-27)41-28-7-2-1-3-8-28/h1-19,23H,21-22H2 | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175405
(CHEMBL201066 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C28H22BrN5O2/c29-24-11-9-20(10-12-24)13-14-33(28(35)26-15-23-3-1-2-4-25(23)36-26)18-27-32-31-19-34(27)17-22-7-5-21(16-30)6-8-22/h1-12,15,19H,13-14,17-18H2 | PDB
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| n/a | n/a | 53.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175397
(CHEMBL370381 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C27H22BrN5O3/c28-23-8-5-19(6-9-23)11-12-32(27(34)22-7-10-24-25(13-22)36-18-35-24)16-26-31-30-17-33(26)15-21-3-1-20(14-29)2-4-21/h1-10,13,17H,11-12,15-16,18H2 | PDB
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| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175399
(CHEMBL199365 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)Show SMILES COc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C30H26N6O2/c1-38-26-13-10-22(11-14-26)16-17-35(30(37)28-15-12-25-4-2-3-5-27(25)33-28)20-29-34-32-21-36(29)19-24-8-6-23(18-31)7-9-24/h2-15,21H,16-17,19-20H2,1H3 | PDB
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175393
(CHEMBL200343 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C28H22BrN5OS/c29-24-11-9-20(10-12-24)13-14-33(28(35)26-15-23-3-1-2-4-25(23)36-26)18-27-32-31-19-34(27)17-22-7-5-21(16-30)6-8-22/h1-12,15,19H,13-14,17-18H2 | PDB
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| n/a | n/a | 89.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175409
(CHEMBL426837 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES COc1cc(nc2ccccc12)C(=O)N(CCc1ccc(Br)cc1)Cc1nncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C30H25BrN6O2/c1-39-28-16-27(34-26-5-3-2-4-25(26)28)30(38)36(15-14-21-10-12-24(31)13-11-21)19-29-35-33-20-37(29)18-23-8-6-22(17-32)7-9-23/h2-13,16,20H,14-15,18-19H2,1H3 | PDB
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| n/a | n/a | 96.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175398
(CHEMBL381432 | N-(4-bromophenethyl)-N-((4-(4-cyano...)Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccco2)cc1 Show InChI InChI=1S/C24H20BrN5O2/c25-21-9-7-18(8-10-21)11-12-29(24(31)22-2-1-13-32-22)16-23-28-27-17-30(23)15-20-5-3-19(14-26)4-6-20/h1-10,13,17H,11-12,15-16H2 | PDB
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| n/a | n/a | 99.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175404
(CHEMBL200829 | N-(2,4-difluorobenzyl)-N-((1-(4-cya...)Show SMILES Fc1ccc(CN(Cc2cncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1 Show InChI InChI=1S/C29H21F2N5O/c30-24-11-9-23(26(31)13-24)17-35(29(37)28-12-10-22-3-1-2-4-27(22)34-28)18-25-15-33-19-36(25)16-21-7-5-20(14-32)6-8-21/h1-13,15,19H,16-18H2 | PDB
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| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50175396
(CHEMBL199491 | N-(2,4-difluorobenzyl)-N-((1-(4-cya...)Show SMILES Fc1ccc(CN(Cc2nnnn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1 Show InChI InChI=1S/C27H19F2N7O/c28-22-11-9-21(23(29)13-22)16-35(27(37)25-12-10-20-3-1-2-4-24(20)31-25)17-26-32-33-34-36(26)15-19-7-5-18(14-30)6-8-19/h1-13H,15-17H2 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by ChEMBL
| Assay Description
Inhibitory activity against K-Ras farnesyl transferase |
Bioorg Med Chem Lett 15: 5407-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239 |
More data for this
Ligand-Target Pair | |
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