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PubMed code 11844687

Compile data set for download or QSAR
Found 11 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))
BDBM50109937
PNG
((R)-2-[(Indane-2-carbonyl)-amino]-3-naphthalen-1-y...)
Show SMILES SCCCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C26H27NO3S/c28-25(22-15-19-8-1-2-9-20(19)16-22)27-24(26(29)30-13-6-14-31)17-21-11-5-10-18-7-3-4-12-23(18)21/h1-5,7-12,22,24,31H,6,13-17H2,(H,27,28)/t24-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for the inhibition of Candida GGTase I in Candida albicans


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109938
PNG
(9H-Xanthene-9-carboxylic acid {(R)-2-(3,4-dichloro...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2c3ccccc3Oc3ccccc23)C(=O)NCCc2cnc[nH]2)cc1Cl
Show InChI InChI=1S/C28H24Cl2N4O3/c29-21-10-9-17(13-22(21)30)14-23(27(35)32-12-11-18-15-31-16-33-18)34-28(36)26-19-5-1-3-7-24(19)37-25-8-4-2-6-20(25)26/h1-10,13,15-16,23,26H,11-12,14H2,(H,31,33)(H,32,35)(H,34,36)/t23-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida geranylgeranyl transferase I at 3 uM


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109933
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES OC(CS)C(CS)OC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C16H17NO5S3/c18-10(6-23)14(7-24)22-16(19)9-8-25-15(17-9)13-5-20-11-3-1-2-4-12(11)21-13/h1-4,8,10,13-14,18,23-24H,5-7H2
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n/an/a 17n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for the inhibition of Candida GGTase I in Candida albicans


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109933
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES OC(CS)C(CS)OC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C16H17NO5S3/c18-10(6-23)14(7-24)22-16(19)9-8-25-15(17-9)13-5-20-11-3-1-2-4-12(11)21-13/h1-4,8,10,13-14,18,23-24H,5-7H2
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n/an/a 17n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for the inhibition of Candida GGTase I in Candida albicans


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109940
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES OC(CS)COC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C15H15NO5S2/c17-9(7-22)5-20-15(18)10-8-23-14(16-10)13-6-19-11-3-1-2-4-12(11)21-13/h1-4,8-9,13,17,22H,5-7H2
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n/an/a 31n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for the inhibition of Candida GGTase I in Candida albicans


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109935
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES SCCCOC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C15H15NO4S2/c17-15(18-6-3-7-21)10-9-22-14(16-10)13-8-19-11-4-1-2-5-12(11)20-13/h1-2,4-5,9,13,21H,3,6-8H2
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n/an/a 240n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida geranylgeranyl transferase I at 3 uM


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109934
PNG
(CHEMBL347650 | Indan-2-carboxylic acid {(R)-1-[2-(...)
Show SMILES O=C(NCCc1cnc[nH]1)[C@@H](Cc1cccc2ccccc12)NC(=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H28N4O2/c33-27(23-14-20-7-1-2-8-21(20)15-23)32-26(28(34)30-13-12-24-17-29-18-31-24)16-22-10-5-9-19-6-3-4-11-25(19)22/h1-11,17-18,23,26H,12-16H2,(H,29,31)(H,30,34)(H,32,33)/t26-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida geranylgeranyl transferase I


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109936
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES SCCCNC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C15H16N2O3S2/c18-14(16-6-3-7-21)10-9-22-15(17-10)13-8-19-11-4-1-2-5-12(11)20-13/h1-2,4-5,9,13,21H,3,6-8H2,(H,16,18)
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n/an/a 780n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for the inhibition of Candida GGTase I in Candida albicans


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109939
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES SCCOC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C14H13NO4S2/c16-14(17-5-6-20)9-8-21-13(15-9)12-7-18-10-3-1-2-4-11(10)19-12/h1-4,8,12,20H,5-7H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida geranylgeranyl transferase I at 3 uM


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109933
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES OC(CS)C(CS)OC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C16H17NO5S3/c18-10(6-23)14(7-24)22-16(19)9-8-25-15(17-9)13-5-20-11-3-1-2-4-12(11)21-13/h1-4,8,10,13-14,18,23-24H,5-7H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human geranylgeranyl transferase I


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109933
PNG
(2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...)
Show SMILES OC(CS)C(CS)OC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C16H17NO5S3/c18-10(6-23)14(7-24)22-16(19)9-8-25-15(17-9)13-5-20-11-3-1-2-4-12(11)21-13/h1-4,8,10,13-14,18,23-24H,5-7H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyl transferase


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%