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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50042930   
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
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50433360
PNG
(CHEMBL2375380)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H42N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h5-7,18-19,21-22,24H,8-17,20H2,1-4H3/q+1/t22-,24-,26-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50433362
PNG
(CHEMBL2377451)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43N/c1-18(2)10-7-11-19(3)21-14-15-22-20(13-9-17-24(5)6)12-8-16-23(21,22)4/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50433361
PNG
(CHEMBL2377452)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50433363
PNG
(CHEMBL2377449)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)CC=C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C25H45N/c1-7-18-26(6)19-10-14-22-13-9-17-25(5)23(15-16-24(22)25)21(4)12-8-11-20(2)3/h7,20-21,23H,1,8-19H2,2-6H3/t21-,23-,25-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50433363
PNG
(CHEMBL2377449)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)CC=C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C25H45N/c1-7-18-26(6)19-10-14-22-13-9-17-25(5)23(15-16-24(22)25)21(4)12-8-11-20(2)3/h7,20-21,23H,1,8-19H2,2-6H3/t21-,23-,25-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50433363
PNG
(CHEMBL2377449)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)CC=C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C25H45N/c1-7-18-26(6)19-10-14-22-13-9-17-25(5)23(15-16-24(22)25)21(4)12-8-11-20(2)3/h7,20-21,23H,1,8-19H2,2-6H3/t21-,23-,25-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50433362
PNG
(CHEMBL2377451)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43N/c1-18(2)10-7-11-19(3)21-14-15-22-20(13-9-17-24(5)6)12-8-16-23(21,22)4/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50433364
PNG
(CHEMBL2377453)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43NO/c1-18(2)10-7-11-19(3)21-14-15-22-20(12-8-16-23(21,22)4)13-9-17-24(5,6)25/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50433363
PNG
(CHEMBL2377449)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)CC=C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C25H45N/c1-7-18-26(6)19-10-14-22-13-9-17-25(5)23(15-16-24(22)25)21(4)12-8-11-20(2)3/h7,20-21,23H,1,8-19H2,2-6H3/t21-,23-,25-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50433361
PNG
(CHEMBL2377452)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50433364
PNG
(CHEMBL2377453)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43NO/c1-18(2)10-7-11-19(3)21-14-15-22-20(12-8-16-23(21,22)4)13-9-17-24(5,6)25/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50433360
PNG
(CHEMBL2375380)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H42N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h5-7,18-19,21-22,24H,8-17,20H2,1-4H3/q+1/t22-,24-,26-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50433362
PNG
(CHEMBL2377451)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43N/c1-18(2)10-7-11-19(3)21-14-15-22-20(13-9-17-24(5)6)12-8-16-23(21,22)4/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50433360
PNG
(CHEMBL2375380)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H42N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h5-7,18-19,21-22,24H,8-17,20H2,1-4H3/q+1/t22-,24-,26-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50433361
PNG
(CHEMBL2377452)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50433360
PNG
(CHEMBL2375380)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H42N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h5-7,18-19,21-22,24H,8-17,20H2,1-4H3/q+1/t22-,24-,26-/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50433362
PNG
(CHEMBL2377451)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43N/c1-18(2)10-7-11-19(3)21-14-15-22-20(13-9-17-24(5)6)12-8-16-23(21,22)4/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50433364
PNG
(CHEMBL2377453)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43NO/c1-18(2)10-7-11-19(3)21-14-15-22-20(12-8-16-23(21,22)4)13-9-17-24(5,6)25/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50433361
PNG
(CHEMBL2377452)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50433364
PNG
(CHEMBL2377453)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@]12C |r,c:11|
Show InChI InChI=1S/C23H43NO/c1-18(2)10-7-11-19(3)21-14-15-22-20(12-8-16-23(21,22)4)13-9-17-24(5,6)25/h18-19,21H,7-17H2,1-6H3/t19-,21-,23-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50433365
PNG
(CHEMBL2377450)
Show SMILES CNCCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 |r,c:5|
Show InChI InChI=1S/C22H41N/c1-17(2)9-6-10-18(3)20-13-14-21-19(12-8-16-23-5)11-7-15-22(20,21)4/h17-18,20,23H,6-16H2,1-5H3/t18-,20-,22-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50433365
PNG
(CHEMBL2377450)
Show SMILES CNCCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 |r,c:5|
Show InChI InChI=1S/C22H41N/c1-17(2)9-6-10-18(3)20-13-14-21-19(12-8-16-23-5)11-7-15-22(20,21)4/h17-18,20,23H,6-16H2,1-5H3/t18-,20-,22-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50433365
PNG
(CHEMBL2377450)
Show SMILES CNCCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 |r,c:5|
Show InChI InChI=1S/C22H41N/c1-17(2)9-6-10-18(3)20-13-14-21-19(12-8-16-23-5)11-7-15-22(20,21)4/h17-18,20,23H,6-16H2,1-5H3/t18-,20-,22-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50433365
PNG
(CHEMBL2377450)
Show SMILES CNCCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 |r,c:5|
Show InChI InChI=1S/C22H41N/c1-17(2)9-6-10-18(3)20-13-14-21-19(12-8-16-23-5)11-7-15-22(20,21)4/h17-18,20,23H,6-16H2,1-5H3/t18-,20-,22-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...


Eur J Med Chem 63: 758-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.002
BindingDB Entry DOI: 10.7270/Q2FB54B4
More data for this
Ligand-Target Pair