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Articleid 50029489

Compile data set for download or QSAR
Found 14 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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50284949
PNG
((S)-2-{[(S)-2-((S)-2-{[(S)-2-((R)-2,6-Diamino-hexa...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](S)NC(=O)[C@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C29H46N6O6S2/c1-17(2)23(34(3)28(39)26(42)33-24(36)20(31)11-7-8-13-30)27(38)35-16-19-10-6-5-9-18(19)15-22(35)25(37)32-21(29(40)41)12-14-43-4/h5-6,9-10,17,20-23,26,42H,7-8,11-16,30-31H2,1-4H3,(H,32,37)(H,33,36)(H,40,41)/t20-,21+,22+,23+,26+/m1/s1
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Article
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50403479
PNG
(CHEMBL2115457)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](S)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
Show InChI InChI=1S/C28H44N6O6S2/c1-16(2)22(32-25(37)26(41)33-23(35)19(30)10-6-7-12-29)27(38)34-15-18-9-5-4-8-17(18)14-21(34)24(36)31-20(28(39)40)11-13-42-3/h4-5,8-9,16,19-22,26,41H,6-7,10-15,29-30H2,1-3H3,(H,31,36)(H,32,37)(H,33,35)(H,39,40)/t19-,20-,21-,22-,26-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50284951
PNG
((S)-2-[((S)-2-{(S)-2-[(S)-2-((R)-2,6-Diamino-hexan...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](S)NC(=O)[C@H](N)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C29H46N6O6S2/c1-29(2,3)22(33-25(38)26(42)34-23(36)19(31)11-7-8-13-30)27(39)35-16-18-10-6-5-9-17(18)15-21(35)24(37)32-20(28(40)41)12-14-43-4/h5-6,9-10,19-22,26,42H,7-8,11-16,30-31H2,1-4H3,(H,32,37)(H,33,38)(H,34,36)(H,40,41)/t19-,20+,21+,22-,26+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50284948
PNG
((S)-2-[(S)-2-((S)-2-{[(S)-2-((R)-2,6-Diamino-hexan...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](S)NC(=O)[C@H](N)CCCCN)c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H44N6O6S2/c1-16(2)21(33(3)26(37)25(40)32-22(34)18(29)12-8-9-14-28)24(36)31-20(17-10-6-5-7-11-17)23(35)30-19(27(38)39)13-15-41-4/h5-7,10-11,16,18-21,25,40H,8-9,12-15,28-29H2,1-4H3,(H,30,35)(H,31,36)(H,32,34)(H,38,39)/t18-,19+,20+,21+,25+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50284950
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-((R)-2,6-Diamino-hexano...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](S)NC(=O)[C@H](N)CCCCN)C(C)(C)C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H44N6O6S2/c1-27(2,3)20(32-24(37)25(40)33-21(34)17(29)12-8-9-14-28)23(36)31-19(16-10-6-5-7-11-16)22(35)30-18(26(38)39)13-15-41-4/h5-7,10-11,17-20,25,40H,8-9,12-15,28-29H2,1-4H3,(H,30,35)(H,31,36)(H,32,37)(H,33,34)(H,38,39)/t17-,18+,19+,20-,25+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50284952
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-((R)-2,6-Diamino-hexano...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](S)NC(=O)[C@H](N)CCCCN)C(C)C)C(O)=O
Show InChI InChI=1S/C27H44N6O6S2/c1-16(2)21(32-25(37)26(40)33-22(34)18(29)11-7-8-13-28)24(36)31-20(15-17-9-5-4-6-10-17)23(35)30-19(27(38)39)12-14-41-3/h4-6,9-10,16,18-21,26,40H,7-8,11-15,28-29H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)(H,33,34)(H,38,39)/t18-,19+,20+,21+,26+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50284953
PNG
((S)-2-[(S)-2-((S)-2-{[(S)-2-((R)-2,6-Diamino-hexan...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](S)NC(=O)[C@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C28H46N6O6S2/c1-17(2)22(34(3)27(38)26(41)33-23(35)19(30)12-8-9-14-29)25(37)32-21(16-18-10-6-5-7-11-18)24(36)31-20(28(39)40)13-15-42-4/h5-7,10-11,17,19-22,26,41H,8-9,12-16,29-30H2,1-4H3,(H,31,36)(H,32,37)(H,33,35)(H,39,40)/t19-,20+,21+,22+,26+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50403478
PNG
(CHEMBL2115458)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](S)NC(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C28H42N6O6S2/c1-42-14-11-20(28(39)40)31-24(36)22-15-17-7-2-3-8-18(17)16-34(22)26(37)21-10-6-13-33(21)27(38)25(41)32-23(35)19(30)9-4-5-12-29/h2-3,7-8,19-22,25,41H,4-6,9-16,29-30H2,1H3,(H,31,36)(H,32,35)(H,39,40)/t19-,20-,21-,22-,25-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50403477
PNG
(CHEMBL2115025)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](NC(=O)[C@H](S)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
Show InChI InChI=1S/C28H44N6O6S2/c1-16(2)22(32-25(37)26(41)33-23(35)19(30)10-6-7-12-29)27(38)34-15-18-9-5-4-8-17(18)14-21(34)24(36)31-20(28(39)40)11-13-42-3/h4-5,8-9,16,19-22,26,41H,6-7,10-15,29-30H2,1-3H3,(H,31,36)(H,32,37)(H,33,35)(H,39,40)/t19-,20-,21-,22+,26-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50403477
PNG
(CHEMBL2115025)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](NC(=O)[C@H](S)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
Show InChI InChI=1S/C28H44N6O6S2/c1-16(2)22(32-25(37)26(41)33-23(35)19(30)10-6-7-12-29)27(38)34-15-18-9-5-4-8-17(18)14-21(34)24(36)31-20(28(39)40)11-13-42-3/h4-5,8-9,16,19-22,26,41H,6-7,10-15,29-30H2,1-3H3,(H,31,36)(H,32,37)(H,33,35)(H,39,40)/t19-,20-,21-,22+,26-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM13373
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H34N4O5S2/c1-13(2)18(26-19(27)15(23)12-32)21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-16(22(30)31)9-10-33-3/h4-8,13,15-18,32H,9-12,23H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17-,18-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50213274
PNG
(CHEMBL3350314)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
Show InChI InChI=1S/C29H46N6O6S2/c1-17(2)24(34-26(37)22(16-42)33-25(36)20(31)10-6-7-12-30)28(39)35-15-19-9-5-4-8-18(19)14-23(35)27(38)32-21(29(40)41)11-13-43-3/h4-5,8-9,17,20-24,42H,6-7,10-16,30-31H2,1-3H3,(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t20-,21-,22-,23-,24+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50213274
PNG
(CHEMBL3350314)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
Show InChI InChI=1S/C29H46N6O6S2/c1-17(2)24(34-26(37)22(16-42)33-25(36)20(31)10-6-7-12-30)28(39)35-15-19-9-5-4-8-18(19)14-23(35)27(38)32-21(29(40)41)11-13-43-3/h4-5,8-9,17,20-24,42H,6-7,10-16,30-31H2,1-3H3,(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t20-,21-,22-,23-,24+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50213273
PNG
(CHEMBL3350692)
Show SMILES CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C29H44N6O6S2/c1-43-14-11-21(29(40)41)32-26(37)24-15-18-7-2-3-8-19(18)16-35(24)28(39)23-10-6-13-34(23)27(38)22(17-42)33-25(36)20(31)9-4-5-12-30/h2-3,7-8,20-24,42H,4-6,9-17,30-31H2,1H3,(H,32,37)(H,33,36)(H,40,41)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase (FTase) of rat brain


Bioorg Med Chem Lett 5: 1779-1784 (1995)


Article DOI: 10.1016/0960-894X(95)00314-J
BindingDB Entry DOI: 10.7270/Q2H41RDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%