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Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'petrin' and Initial = 'j'   
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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50289150
PNG
(Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...)
Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |t:7,12|
Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter for inihibiton of farnesyl protein transferase


Bioorg Med Chem Lett 6: 909-912 (1996)


Article DOI: 10.1016/0960-894X(96)00142-4
BindingDB Entry DOI: 10.7270/Q2VT1S3W
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063416
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)Cc3ccncc3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H24BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h3-8,14-16,25H,1-2,9-13H2
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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 23n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063353
PNG
(4-{2-[(S)-4-(3-Bromo-8-chloro-6,11-dihydro-5H-benz...)
Show SMILES CCCC[C@H]1CN(CCN1C(=O)CC1CCN(CC1)C(N)=O)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H39BrClN5O2/c1-2-3-4-25-19-36(13-14-37(25)27(38)15-20-9-11-35(12-10-20)30(33)39)29-26-8-7-24(32)17-21(26)5-6-22-16-23(31)18-34-28(22)29/h7-8,16-18,20,25,29H,2-6,9-15,19H2,1H3,(H2,33,39)/t25-,29?/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063455
PNG
(1-[4-(3-Bromo-8-chloro-11H-benzo[5,6]cyclohepta[1,...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3C=Cc3cc(Br)cnc23)cc1 |c:24|
Show InChI InChI=1S/C25H22BrClN4O2/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/h1-8,14-16,25H,9-13H2
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063402
PNG
(1-[(S)-4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)
Show SMILES COCC[C@H]1CN(CCN1C(=O)Cc1cc[n+]([O-])cc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C28H30BrClN4O3/c1-37-13-8-24-18-32(11-12-34(24)26(35)14-19-6-9-33(36)10-7-19)28-25-5-4-23(30)16-20(25)2-3-21-15-22(29)17-31-27(21)28/h4-7,9-10,15-17,24,28H,2-3,8,11-14,18H2,1H3/t24-,28?/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50061469
PNG
(1-[4-(8-CHLORO-3-METHYL-5,6-DIHYDRO-BENZO[5,6]CYCL...)
Show SMILES [#6]-c1cnc2c(-[#6]-[#6]-c3cc(Cl)ccc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C27H26ClN3O/c1-18-14-22-3-2-21-16-23(28)4-5-24(21)26(27(22)30-17-18)20-8-12-31(13-9-20)25(32)15-19-6-10-29-11-7-19/h4-7,10-11,14,16-17H,2-3,8-9,12-13,15H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063358
PNG
(4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CN1CCC(CC1)NC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C25H31BrClN5O/c1-30-8-6-21(7-9-30)29-25(33)32-12-10-31(11-13-32)24-22-5-4-20(27)15-17(22)2-3-18-14-19(26)16-28-23(18)24/h4-5,14-16,21,24H,2-3,6-13H2,1H3,(H,29,33)
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n/an/a 41n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063384
PNG
(4-{2-[4-(3-Bromo-8-chloro-11H-benzo[5,6]cyclohepta...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3C=Cc3cc(Br)cnc23)CC1 |c:26|
Show InChI InChI=1S/C26H29BrClN5O2/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/h1-4,14-17,25H,5-13H2,(H2,29,35)
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n/an/a 45n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063366
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)C2c3ccc(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
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n/an/a 47n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063339
PNG
(4-{2-[4-((S)-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-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM14456
PNG
(4-N-carboxamidopiperidinylacetyl 2 | 4-[2-(4-{6-br...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(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)
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n/an/a 49n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063415
PNG
(4-{2-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,...)
Show SMILES CNC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
Show InChI InChI=1S/C27H33BrClN5O2/c1-30-27(36)34-8-6-18(7-9-34)14-24(35)32-10-12-33(13-11-32)26-23-5-4-22(29)16-19(23)2-3-20-15-21(28)17-31-25(20)26/h4-5,15-18,26H,2-3,6-14H2,1H3,(H,30,36)
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n/an/a 50n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063457
PNG
(4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CN1CCCC(C1)NC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C25H31BrClN5O/c1-30-8-2-3-21(16-30)29-25(33)32-11-9-31(10-12-32)24-22-7-6-20(27)14-17(22)4-5-18-13-19(26)15-28-23(18)24/h6-7,13-15,21,24H,2-5,8-12,16H2,1H3,(H,29,33)
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n/an/a 54n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063342
PNG
(1-[4-((R)-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-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50061819
PNG
(1-[4-(3-Bromo-8-chloro-5,6-dihydro-benzo[5,6]cyclo...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cc(Br)cnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H23BrClN3O/c27-21-14-20-2-1-19-15-22(28)3-4-23(19)25(26(20)30-16-21)18-7-11-31(12-8-18)24(32)13-17-5-9-29-10-6-17/h3-6,9-10,14-16H,1-2,7-8,11-13H2
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n/an/a 60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063351
PNG
(1-[(S)-4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)
Show SMILES CCCC[C@H]1CN(CCN1C(=O)Cc1cc[n+]([O-])cc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C29H32BrClN4O2/c1-2-3-4-25-19-33(13-14-35(25)27(36)15-20-9-11-34(37)12-10-20)29-26-8-7-24(31)17-21(26)5-6-22-16-23(30)18-32-28(22)29/h7-12,16-18,25,29H,2-6,13-15,19H2,1H3/t25-,29?/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50061811
PNG
(1-[4-(8-Chloro-3-iodo-5,6-dihydro-benzo[5,6]cycloh...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cc(I)cnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H23ClIN3O/c27-21-3-4-23-19(14-21)1-2-20-15-22(28)16-30-26(20)25(23)18-7-11-31(12-8-18)24(32)13-17-5-9-29-10-6-17/h3-6,9-10,14-16H,1-2,7-8,11-13H2
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n/an/a 68n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063433
PNG
(1-[(S)-4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)
Show SMILES COCC[C@H]1CN(CCN1C(=O)CC1CCNCC1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C28H36BrClN4O2/c1-36-13-8-24-18-33(11-12-34(24)26(35)14-19-6-9-31-10-7-19)28-25-5-4-23(30)16-20(25)2-3-21-15-22(29)17-32-27(21)28/h4-5,15-17,19,24,28,31H,2-3,6-14,18H2,1H3/t24-,28?/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50061818
PNG
(1-[4-(3,8-Dichloro-5,6-dihydro-benzo[5,6]cyclohept...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cc(Cl)cnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H23Cl2N3O/c27-21-3-4-23-19(14-21)1-2-20-15-22(28)16-30-26(20)25(23)18-7-11-31(12-8-18)24(32)13-17-5-9-29-10-6-17/h3-6,9-10,14-16H,1-2,7-8,11-13H2
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n/an/a 72n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063373
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)CC3CCNCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H30BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h3-4,14-17,25,28H,1-2,5-13H2
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n/an/a 72n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063410
PNG
(1-[4-((S)-3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)
Show SMILES Clc1ccc2[C@H](N3CCN(CC3)C(=O)CC3CCNCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H30BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h3-4,14-17,25,28H,1-2,5-13H2/t25-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063349
PNG
(1-[4-(3-Bromo-8-chloro-11H-benzo[5,6]cyclohepta[1,...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)CC3CCNCC3)c3ncc(Br)cc3C=Cc2c1 |c:31|
Show InChI InChI=1S/C25H28BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h1-4,14-17,25,28H,5-13H2
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n/an/a 83n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063461
PNG
(1-[4-((R)-3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)
Show SMILES Clc1ccc2[C@@H](N3CCN(CC3)C(=O)CC3CCNCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H30BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h3-4,14-17,25,28H,1-2,5-13H2/t25-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM14455
PNG
(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
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n/an/a 90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063418
PNG
(4-{2-[(S)-4-(3-Bromo-8-chloro-6,11-dihydro-5H-benz...)
Show SMILES COCC[C@H]1CN(CCN1C(=O)CC1CCN(CC1)C(N)=O)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C29H37BrClN5O3/c1-39-13-8-24-18-35(11-12-36(24)26(37)14-19-6-9-34(10-7-19)29(32)38)28-25-5-4-23(31)16-20(25)2-3-21-15-22(30)17-33-27(21)28/h4-5,15-17,19,24,28H,2-3,6-14,18H2,1H3,(H2,32,38)/t24-,28?/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063368
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES CN1CCC(CC(=O)N2CCN(CC2)C2c3ccc(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
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidney cells


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063362
PNG
(4-{2-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,...)
Show SMILES CCCNC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
Show InChI InChI=1S/C29H37BrClN5O2/c1-2-9-32-29(38)36-10-7-20(8-11-36)16-26(37)34-12-14-35(15-13-34)28-25-6-5-24(31)18-21(25)3-4-22-17-23(30)19-33-27(22)28/h5-6,17-20,28H,2-4,7-16H2,1H3,(H,32,38)
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063360
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES CN1CCCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)C1
Show InChI InChI=1S/C26H32BrClN4O/c1-30-8-2-3-18(17-30)13-24(33)31-9-11-32(12-10-31)26-23-7-6-22(28)15-19(23)4-5-20-14-21(27)16-29-25(20)26/h6-7,14-16,18,26H,2-5,8-13,17H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063378
PNG
(2-(1-Acetyl-piperidin-4-yl)-1-[4-(3-bromo-8-chloro...)
Show SMILES CC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
Show InChI InChI=1S/C27H32BrClN4O2/c1-18(34)31-8-6-19(7-9-31)14-25(35)32-10-12-33(13-11-32)27-24-5-4-23(29)16-20(24)2-3-21-15-22(28)17-30-26(21)27/h4-5,15-17,19,27H,2-3,6-14H2,1H3
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n/an/a 102n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063363
PNG
((S)-2-Amino-1-(4-{2-[4-(3-bromo-8-chloro-6,11-dihy...)
Show SMILES N[C@@H](CO)C(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
Show InChI InChI=1S/C28H35BrClN5O3/c29-21-14-20-2-1-19-15-22(30)3-4-23(19)27(26(20)32-16-21)34-11-9-33(10-12-34)25(37)13-18-5-7-35(8-6-18)28(38)24(31)17-36/h3-4,14-16,18,24,27,36H,1-2,5-13,17,31H2/t24-,27?/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063434
PNG
(4-{2-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,...)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
Show InChI InChI=1S/C30H39BrClN5O2/c1-30(2,3)34-29(39)37-10-8-20(9-11-37)16-26(38)35-12-14-36(15-13-35)28-25-7-6-24(32)18-21(25)4-5-22-17-23(31)19-33-27(22)28/h6-7,17-20,28H,4-5,8-16H2,1-3H3,(H,34,39)
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n/an/a 108n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063368
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES CN1CCC(CC(=O)N2CCN(CC2)C2c3ccc(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
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n/an/a 120n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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 125n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidney cells


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50289150
PNG
(Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...)
Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |t:7,12|
Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inihibtion of recombinant human farnesyl protein transferase


Bioorg Med Chem Lett 6: 909-912 (1996)


Article DOI: 10.1016/0960-894X(96)00142-4
BindingDB Entry DOI: 10.7270/Q2VT1S3W
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50061441
PNG
(1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...)
Show SMILES Clc1ccc2C(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
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n/an/a 160n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50061814
PNG
(1-[4-(3-Bromo-8-chloro-5,6-dihydro-benzo[5,6]cyclo...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cc(Br)cnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2cccnc2)c1
Show InChI InChI=1S/C26H23BrClN3O/c27-21-13-20-4-3-19-14-22(28)5-6-23(19)25(26(20)30-16-21)18-7-10-31(11-8-18)24(32)12-17-2-1-9-29-15-17/h1-2,5-6,9,13-16H,3-4,7-8,10-12H2
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n/an/a 160n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063341
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)Cc3cccnc3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H24BrClN4O/c26-20-13-19-4-3-18-14-21(27)5-6-22(18)25(24(19)29-16-20)31-10-8-30(9-11-31)23(32)12-17-2-1-7-28-15-17/h1-2,5-7,13-16,25H,3-4,8-12H2
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n/an/a 170n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063373
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)CC3CCNCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H30BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h3-4,14-17,25,28H,1-2,5-13H2
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n/an/a 170n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidney cells


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063407
PNG
(1-[4-((S)-8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclo...)
Show SMILES Clc1ccc2[C@H](N3CCN(CC3)C(=O)Cc3cccnc3)c3ncccc3CCc2c1
Show InChI InChI=1S/C25H25ClN4O/c26-21-7-8-22-20(16-21)6-5-19-4-2-10-28-24(19)25(22)30-13-11-29(12-14-30)23(31)15-18-3-1-9-27-17-18/h1-4,7-10,16-17,25H,5-6,11-15H2/t25-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063337
PNG
(4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES [O-][n+]1ccc(NC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)cc1
Show InChI InChI=1S/C24H23BrClN5O2/c25-18-13-17-2-1-16-14-19(26)3-4-21(16)23(22(17)27-15-18)29-9-11-30(12-10-29)24(32)28-20-5-7-31(33)8-6-20/h3-8,13-15,23H,1-2,9-12H2,(H,28,32)
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n/an/a 210n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063331
PNG
(4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)Nc3cccnc3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C24H23BrClN5O/c25-18-12-17-4-3-16-13-19(26)5-6-21(16)23(22(17)28-14-18)30-8-10-31(11-9-30)24(32)29-20-2-1-7-27-15-20/h1-2,5-7,12-15,23H,3-4,8-11H2,(H,29,32)
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n/an/a 210n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063452
PNG
((R)-2-Amino-1-(4-{2-[4-(3-bromo-8-chloro-6,11-dihy...)
Show SMILES N[C@@H](CS)C(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
Show InChI InChI=1S/C28H35BrClN5O2S/c29-21-14-20-2-1-19-15-22(30)3-4-23(19)27(26(20)32-16-21)34-11-9-33(10-12-34)25(36)13-18-5-7-35(8-6-18)28(37)24(31)17-38/h3-4,14-16,18,24,27,38H,1-2,5-13,17,31H2/t24-,27?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063420
PNG
(4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES [O-][n+]1cccc(NC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)c1
Show InChI InChI=1S/C24H23BrClN5O2/c25-18-12-17-4-3-16-13-19(26)5-6-21(16)23(22(17)27-14-18)29-8-10-30(11-9-29)24(32)28-20-2-1-7-31(33)15-20/h1-2,5-7,12-15,23H,3-4,8-11H2,(H,28,32)
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n/an/a 240n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50102247
PNG
(16-hydroxymethyl-(15R,16R,18S)-28-oxa-4,14,19-tria...)
Show SMILES OC[C@H]1C[C@@H]2O[C@H]1n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C25H17N3O4/c29-10-11-9-16-27-14-7-3-1-5-12(14)17-19-20(24(31)26-23(19)30)18-13-6-2-4-8-15(13)28(25(11)32-16)22(18)21(17)27/h1-8,11,16,25,29H,9-10H2,(H,26,30,31)/t11-,16?,25-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neu (erb-B2) HER2 kinase


Bioorg Med Chem Lett 3: 1537-1542 (1993)


Article DOI: 10.1016/S0960-894X(00)80013-X
BindingDB Entry DOI: 10.7270/Q23T9HR9
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM14454
PNG
(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
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n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
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