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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'junot' and Initial = 'c'   
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))
BDBM50271572
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
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n/an/a 3n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271622
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H29ClN4O2S/c1-24-10-14-26(15-11-24)21-6-2-19(3-7-21)18-25-12-16-27(17-13-25)30(28,29)22-8-4-20(23)5-9-22/h2-9H,10-18H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271571
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C22H22ClN3O2S/c23-21-5-7-22(8-6-21)29(27,28)26-15-13-25(14-16-26)17-18-1-3-19(4-2-18)20-9-11-24-12-10-20/h1-12H,13-17H2
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n/an/a 13n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271621
PNG
(1-[4-(Trifluoromethoxy)phenylcarbonyl]-4-[4-(dimet...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H26F3N3O2/c1-26(2)15-17-3-5-18(6-4-17)16-27-11-13-28(14-12-27)21(29)19-7-9-20(10-8-19)30-22(23,24)25/h3-10H,11-16H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271529
PNG
(CHEMBL483314 | N-[2-(4-(4-Dimethylaminomethylpheny...)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CCNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C24H25N3O2S/c1-27(2)18-21-5-11-23(12-6-21)22-9-3-19(4-10-22)15-16-26-30(28,29)24-13-7-20(17-25)8-14-24/h3-14,26H,15-16,18H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271623
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(imidazol-1-yl)phe...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C21H21ClN4O/c22-19-5-3-18(4-6-19)21(27)25-13-11-24(12-14-25)15-17-1-7-20(8-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2
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n/an/a 32n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271620
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H26ClN3O2S/c1-22(2)15-17-3-5-18(6-4-17)16-23-11-13-24(14-12-23)27(25,26)20-9-7-19(21)8-10-20/h3-10H,11-16H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271619
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClN3O/c1-23(2)15-17-3-5-18(6-4-17)16-24-11-13-25(14-12-24)21(26)19-7-9-20(22)10-8-19/h3-10H,11-16H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271530
PNG
(CHEMBL483918 | N-[2-(4-(4-((Pyrolidin-1-yl)methyl)...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN2O2S/c26-24-11-13-25(14-12-24)31(29,30)27-16-15-20-3-7-22(8-4-20)23-9-5-21(6-10-23)19-28-17-1-2-18-28/h3-14,27H,1-2,15-19H2
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n/an/a 63n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271573
PNG
(1-[4-Chlorobenzyl]-4-[4-(pyridin-4-yl)phenylmethyl...)
Show SMILES Clc1ccc(CN2CCN(Cc3ccc(cc3)-c3ccncc3)CC2)cc1
Show InChI InChI=1S/C23H24ClN3/c24-23-7-3-20(4-8-23)18-27-15-13-26(14-16-27)17-19-1-5-21(6-2-19)22-9-11-25-12-10-22/h1-12H,13-18H2
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n/an/a 316n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271570
PNG
(1-[4-Chlorophenylsulfonyl]-4-[3-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)-c2ccncc2)CC1
Show InChI InChI=1S/C22H22ClN3O2S/c23-21-4-6-22(7-5-21)29(27,28)26-14-12-25(13-15-26)17-18-2-1-3-20(16-18)19-8-10-24-11-9-19/h1-11,16H,12-15,17H2
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n/an/a 500n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271574
PNG
(1-[4-Methoxyphenylcarbonyl]-4-[4-(pyridin-4-yl)phe...)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C24H25N3O2/c1-29-23-8-6-22(7-9-23)24(28)27-16-14-26(15-17-27)18-19-2-4-20(5-3-19)21-10-12-25-13-11-21/h2-13H,14-18H2,1H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271528
PNG
(CHEMBL483117 | rac-N-(4-(hydroxy(phenyl)methyl)phe...)
Show SMILES OC(c1ccccc1)c1ccc(CCNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H20N2O3S/c23-16-18-8-12-21(13-9-18)28(26,27)24-15-14-17-6-10-20(11-7-17)22(25)19-4-2-1-3-5-19/h1-13,22,24-25H,14-15H2
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n/an/an/an/a 100n/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair