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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'ferrante' and Initial = 't'   
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
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139418
PNG
(CHEMBL3764585)
Show SMILES CN(Cc1ccc(Cl)cc1)Cc1ccc(cc1)C1CCN(C)CC1
Show InChI InChI=1S/C21H27ClN2/c1-23-13-11-20(12-14-23)19-7-3-17(4-8-19)15-24(2)16-18-5-9-21(22)10-6-18/h3-10,20H,11-16H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139414
PNG
(CHEMBL3764742)
Show SMILES CN(Cc1ccc(Cl)cc1)Cc1ccc(cc1)C1CCCN(C)C1
Show InChI InChI=1S/C21H27ClN2/c1-23-13-3-4-20(16-23)19-9-5-17(6-10-19)14-24(2)15-18-7-11-21(22)12-8-18/h5-12,20H,3-4,13-16H2,1-2H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139415
PNG
(CHEMBL3764281)
Show SMILES CN(C\C=C\c1ccccc1)Cc1ccc(cc1)C1CCCN(C)C1
Show InChI InChI=1S/C23H30N2/c1-24(16-6-10-20-8-4-3-5-9-20)18-21-12-14-22(15-13-21)23-11-7-17-25(2)19-23/h3-6,8-10,12-15,23H,7,11,16-19H2,1-2H3/b10-6+
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n/an/a 2.06E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139397
PNG
(CHEMBL3765017)
Show SMILES CN(Cc1ccc(Cl)cc1)Cc1ccc(cc1)C1=CCCN(C)C1 |t:19|
Show InChI InChI=1S/C21H25ClN2/c1-23-13-3-4-20(16-23)19-9-5-17(6-10-19)14-24(2)15-18-7-11-21(22)12-8-18/h4-12H,3,13-16H2,1-2H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139417
PNG
(CHEMBL3765660)
Show SMILES CN(Cc1ccc(Cl)cc1)C1CCc2cc(ccc12)C1CCCN(C)C1
Show InChI InChI=1S/C23H29ClN2/c1-25-13-3-4-20(16-25)18-7-11-22-19(14-18)8-12-23(22)26(2)15-17-5-9-21(24)10-6-17/h5-7,9-11,14,20,23H,3-4,8,12-13,15-16H2,1-2H3
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n/an/a 4.22E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139412
PNG
(CHEMBL3764452)
Show SMILES CN(C\C=C\c1ccccc1)Cc1ccc(cc1)C1=CCCN(C)C1 |t:20|
Show InChI InChI=1S/C23H28N2/c1-24(16-6-10-20-8-4-3-5-9-20)18-21-12-14-22(15-13-21)23-11-7-17-25(2)19-23/h3-6,8-15H,7,16-19H2,1-2H3/b10-6+
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n/an/a 5.28E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139416
PNG
(CHEMBL3765639)
Show SMILES CN(Cc1ccc(cc1)C1CCCN(C)C1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N2/c1-26-15-5-8-25(19-26)23-12-9-20(10-13-23)17-27(2)18-21-11-14-22-6-3-4-7-24(22)16-21/h3-4,6-7,9-14,16,25H,5,8,15,17-19H2,1-2H3
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n/an/a 8.51E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139413
PNG
(CHEMBL3765685)
Show SMILES CN(Cc1ccc(cc1)C1=CCCN(C)C1)Cc1ccc2ccccc2c1 |t:10|
Show InChI InChI=1S/C25H28N2/c1-26-15-5-8-25(19-26)23-12-9-20(10-13-23)17-27(2)18-21-11-14-22-6-3-4-7-24(22)16-21/h3-4,6-14,16H,5,15,17-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair