Found 13 hits of Enzyme Inhibition Constant Data 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)) | BDBM14459
((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r| Show InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50077853
(1-[4-(3,10-Dibromo-8-chloro-5,6-dihydro-benzo[5,6]...)Show SMILES [#8-]-[n+]1ccc(-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2/c3ncc(Br)cc3-[#6]-[#6]-c3cc(Cl)cc(Br)c-23)cc1 Show InChI InChI=1S/C26H22Br2ClN3O2/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)30-15-20)17-5-7-31(8-6-17)23(33)11-16-3-9-32(34)10-4-16/h3-4,9-10,12-15H,1-2,5-8,11H2 | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM14471
((-)-4-[2-[4-(3,7-Dibromo-8-chloro-6,11-dihydro-5H-...)Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r| Show InChI InChI=1S/C27H31Br2ClN4O2/c28-19-14-18-1-2-21-20(3-4-22(30)25(21)29)24(26(18)32-15-19)17-7-11-33(12-8-17)23(35)13-16-5-9-34(10-6-16)27(31)36/h3-4,14-17,24H,1-2,5-13H2,(H2,31,36)/t24-/m0/s1 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50063372
(1-[4-((S)-3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc23)cc1 Show InChI InChI=1S/C25H24BrClN4O2/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)28-16-20)30-11-9-29(10-12-30)23(32)13-17-5-7-31(33)8-6-17/h3-8,14-16,25H,1-2,9-13H2/t25-/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50063359
(1-[4-((R)-3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc23)cc1 Show InChI InChI=1S/C25H24BrClN4O2/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)28-16-20)30-11-9-29(10-12-30)23(32)13-17-5-7-31(33)8-6-17/h3-8,14-16,25H,1-2,9-13H2/t25-/m1/s1 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50063412
(4-{2-[4-((R)-3-Bromo-8-chloro-6,11-dihydro-5H-benz...)Show SMILES NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1 Show InChI InChI=1S/C26H31BrClN5O2/c27-20-14-19-2-1-18-15-21(28)3-4-22(18)25(24(19)30-16-20)32-11-9-31(10-12-32)23(34)13-17-5-7-33(8-6-17)26(29)35/h3-4,14-17,25H,1-2,5-13H2,(H2,29,35)/t25-/m1/s1 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50063379
(1-[4-((S)-3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)Show SMILES CN1CCC(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1 Show InChI InChI=1S/C26H32BrClN4O/c1-30-8-6-18(7-9-30)14-24(33)31-10-12-32(13-11-31)26-23-5-4-22(28)16-19(23)2-3-20-15-21(27)17-29-25(20)26/h4-5,15-18,26H,2-3,6-14H2,1H3/t26-/m0/s1 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM14455
(3-bromo-4-pyridylacetyl N-oxide 1 | 4-[2-(4-{6-bro...)Show SMILES [#8-]-[n+]1ccc(-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2/c3ccc(Cl)cc3-[#6]-[#6]-c3cc(Br)cnc-23)cc1 Show InChI InChI=1S/C26H23BrClN3O2/c27-21-14-20-2-1-19-15-22(28)3-4-23(19)25(26(20)29-16-21)18-7-9-30(10-8-18)24(32)13-17-5-11-31(33)12-6-17/h3-6,11-12,14-16H,1-2,7-10,13H2 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50063453
(1-[4-((S)-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclo...)Show SMILES Clc1ccc2[C@H](N3CCN(CC3)C(=O)Cc3ccncc3)c3ncccc3CCc2c1 Show InChI InChI=1S/C25H25ClN4O/c26-21-5-6-22-20(17-21)4-3-19-2-1-9-28-24(19)25(22)30-14-12-29(13-15-30)23(31)16-18-7-10-27-11-8-18/h1-2,5-11,17,25H,3-4,12-16H2/t25-/m0/s1 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM14454
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1 Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM14460
((-)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r| Show InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m0/s1 | PDB
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| n/a | n/a | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50063401
(1-[4-((R)-8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclo...)Show SMILES Clc1ccc2[C@@H](N3CCN(CC3)C(=O)Cc3ccncc3)c3ncccc3CCc2c1 Show InChI InChI=1S/C25H25ClN4O/c26-21-5-6-22-20(17-21)4-3-19-2-1-9-28-24(19)25(22)30-14-12-29(13-15-30)23(31)16-18-7-10-27-11-8-18/h1-2,5-11,17,25H,3-4,12-16H2/t25-/m1/s1 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50061458
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)Show SMILES [#8-]-[n+]1ccc(-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2/c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1 Show InChI InChI=1S/C26H24ClN3O2/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-28-26(20)25(23)19-9-12-29(13-10-19)24(31)16-18-7-14-30(32)15-8-18/h1-2,5-8,11,14-15,17H,3-4,9-10,12-13,16H2 | PDB
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Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyl protein transferase |
J Med Chem 42: 2125-35 (1999)
Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9 |
More data for this
Ligand-Target Pair | |
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