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PubMed code 12749902

Compile data set for download or QSAR
Found 5 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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128465
PNG
((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl)-4-phe...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1
Show InChI InChI=1S/C22H33N3O4S/c1-15(2)13-18(20(27)29-3)24-21(28)22(16-7-5-4-6-8-16)9-11-25(12-10-22)19(26)17(23)14-30/h4-8,15,17-18,30H,9-14,23H2,1-3H3,(H,24,28)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128463
PNG
((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl)-4-phe...)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O4S/c1-14(2)12-17(19(26)27)23-20(28)21(15-6-4-3-5-7-15)8-10-24(11-9-21)18(25)16(22)13-29/h3-7,14,16-17,29H,8-13,22H2,1-2H3,(H,23,28)(H,26,27)/t16-,17-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128464
PNG
((S)-2-((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl...)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C24H36N4O5S/c1-15(2)13-19(20(29)26-16(3)22(31)32)27-23(33)24(17-7-5-4-6-8-17)9-11-28(12-10-24)21(30)18(25)14-34/h4-8,15-16,18-19,34H,9-14,25H2,1-3H3,(H,26,29)(H,27,33)(H,31,32)/t16-,18-,19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128463
PNG
((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl)-4-phe...)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O4S/c1-14(2)12-17(19(26)27)23-20(28)21(15-6-4-3-5-7-15)8-10-24(11-9-21)18(25)16(22)13-29/h3-7,14,16-17,29H,8-13,22H2,1-2H3,(H,23,28)(H,26,27)/t16-,17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Farnesyltransferase


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128464
PNG
((S)-2-((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl...)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C24H36N4O5S/c1-15(2)13-19(20(29)26-16(3)22(31)32)27-23(33)24(17-7-5-4-6-8-17)9-11-28(12-10-24)21(30)18(25)14-34/h4-8,15-16,18-19,34H,9-14,25H2,1-3H3,(H,26,29)(H,27,33)(H,31,32)/t16-,18-,19-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Farnesyltransferase


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%