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PubMed code 10377218

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM14459
PNG
((+)-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
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
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n/an/a 1.90n/an/an/an/an/an/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
3D Structure (crystal)
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50077853
PNG
(1-[4-(3,10-Dibromo-8-chloro-5,6-dihydro-benzo[5,6]...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)=C2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)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
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n/an/a 3.90n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM14471
PNG
((-)-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
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
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n/an/a 5n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50063372
PNG
(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
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n/an/a 11n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50063359
PNG
(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
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n/an/a 25n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50063412
PNG
(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
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n/an/a 43n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50063379
PNG
(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
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n/an/a 50n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM14455
PNG
(3-bromo-4-pyridylacetyl N-oxide 1 | 4-[2-(4-{6-bro...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)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
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n/an/a 52n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50063453
PNG
(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
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n/an/a 140n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)Cc2ccncc2)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
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n/an/a 250n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM14460
PNG
((-)-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
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
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n/an/a 378n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50063401
PNG
(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
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n/an/a 500n/an/an/an/an/an/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50061458
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cccnc23)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
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n/an/a 530n/an/an/an/an/an/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
* indicates data uncertainty>20%