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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'aebi' and Initial = 'jd'   
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)
BDBM50130785
PNG
(CHEMBL542453 | CHEMBL609978 | {4-[6-(Allyl-methyl-...)
Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O)CC=C
Show InChI InChI=1S/C23H28N2O4/c1-3-16-24(2)17-6-4-5-7-18-29-22-14-10-20(11-15-22)23(26)19-8-12-21(13-9-19)25(27)28/h3,8-15H,1,4-7,16-18H2,2H3
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n/an/a 1.90n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128063
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...)
Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 2.90n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128063
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...)
Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 2.90n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128063
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...)
Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 2.90n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128060
PNG
(CHEMBL63524 | N-allyl-4-(4-(4-bromobenzoyl)phenoxy...)
Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H22BrNO2/c1-3-14-23(2)15-4-5-16-25-20-12-8-18(9-13-20)21(24)17-6-10-19(22)11-7-17/h3-13H,1,14-16H2,2H3/b5-4+
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n/an/a 3n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128054
PNG
(Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...)
Show SMILES CN(CCCCCCOc1ccc2c(nccc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
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n/an/a 3.5n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128054
PNG
(Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...)
Show SMILES CN(CCCCCCOc1ccc2c(nccc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
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n/an/a 3.5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128055
PNG
(Allyl-{6-[4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazi...)
Show SMILES CN(CCCCCCOc1ccc2C(=NOCc2c1)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H29BrN2O2/c1-3-14-27(2)15-6-4-5-7-16-28-22-12-13-23-20(17-22)18-29-26-24(23)19-8-10-21(25)11-9-19/h3,8-13,17H,1,4-7,14-16,18H2,2H3
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n/an/a 4.10n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128055
PNG
(Allyl-{6-[4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazi...)
Show SMILES CN(CCCCCCOc1ccc2C(=NOCc2c1)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H29BrN2O2/c1-3-14-27(2)15-6-4-5-7-16-28-22-12-13-23-20(17-22)18-29-26-24(23)19-8-10-21(25)11-9-19/h3,8-13,17H,1,4-7,14-16,18H2,2H3
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n/an/a 4.10n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130788
PNG
(CHEMBL116705 | CHEMBL611484 | {4-[6-(Allyl-methyl-...)
Show SMILES CNc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H31BrN2O2/c1-4-15-27(3)16-7-5-6-8-17-29-21-13-14-22(23(18-21)26-2)24(28)19-9-11-20(25)12-10-19/h4,9-14,18,26H,1,5-8,15-17H2,2-3H3
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n/an/a 4.10n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130783
PNG
(CHEMBL115020 | CHEMBL611485 | {4-[6-(Allyl-methyl-...)
Show SMILES COc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H30BrNO3/c1-4-15-26(2)16-7-5-6-8-17-29-21-13-14-22(23(18-21)28-3)24(27)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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n/an/a 4.60n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50255431
PNG
(4-(trifluoromethyl)phenyl 4-(5-(allyl(methyl)amino...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(cc1)C(F)(F)F)CC=C
Show InChI InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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n/an/a 5n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128050
PNG
(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H28BrNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3
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n/an/a 5.40n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128050
PNG
(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H28BrNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3
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n/an/a 5.40n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130789
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[b]thiophen-6-yl...)
Show SMILES CN(CCCCCCOc1ccc2c(csc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H28BrNOS/c1-3-14-26(2)15-6-4-5-7-16-27-21-12-13-22-23(18-28-24(22)17-21)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3
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n/an/a 5.60n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128065
PNG
(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 5.70n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 6n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens)
BDBM50130786
PNG
(CHEMBL115923 | CHEMBL611486 | {4-[6-(Allyl-methyl-...)
Show SMILES CSc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H30BrNO2S/c1-4-15-26(2)16-7-5-6-8-17-28-21-13-14-22(23(18-21)29-3)24(27)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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n/an/a 6.20n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130774
PNG
(CHEMBL115375 | CHEMBL611757 | {4-[6-(Allyl-methyl-...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1)CC=C
Show InChI InChI=1S/C23H28BrNO3/c1-3-14-25(2)15-6-4-5-7-16-28-20-12-13-21(22(26)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17,26H,1,4-7,14-16H2,2H3
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n/an/a 6.30n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128065
PNG
(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 6.5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens)
BDBM50128065
PNG
(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 6.5n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens)
BDBM50130775
PNG
(CHEMBL554209 | CHEMBL611758 | {4-[6-(Allyl-methyl-...)
Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(F)cc1)CC=C
Show InChI InChI=1S/C23H28FNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3
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n/an/a 6.70n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50159366
PNG
((2S,4R)-4-Acetylsulfanyl-2-(2,4,5-trifluoro-benzyl...)
Show SMILES CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C1)C(=O)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H22F3NO6S/c1-13(28)34-16-8-15(12-30-11-14-7-18(25)19(26)9-17(14)24)27(10-16)23(29)33-21-4-2-3-20-22(21)32-6-5-31-20/h2-4,7,9,15-16H,5-6,8,10-12H2,1H3/t15-,16+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA


J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130772
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-1,1-dioxo-1H-1lambda*...)
Show SMILES CN(CCCCCCOc1ccc2C(=NS(=O)(=O)c2c1)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2O3S/c1-3-14-26(2)15-6-4-5-7-16-29-20-12-13-21-22(17-20)30(27,28)25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 7.80n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50394835
PNG
(CHEMBL2164235)
Show SMILES CCCN(C)CCCC#C[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C23H33ClN2O2/c1-4-17-25(2)18-7-5-6-8-19-9-13-21(14-10-19)26(3)23(27)28-22-15-11-20(24)12-16-22/h11-12,15-16,19,21H,4-5,7,9-10,13-14,17-18H2,1-3H3/t19-,21-
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n/an/a 7.80n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130784
PNG
(Allyl-{6-[1-(4-bromo-phenyl)-3,4-dihydro-isoquinol...)
Show SMILES CN(CCCCCCOc1ccc2C(=NCCc2c1)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C25H31BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-13,19H,1,4-7,14-18H2,2H3
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n/an/a 7.90n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128070
PNG
((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...)
Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
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n/an/a 8n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130787
PNG
(CHEMBL114266 | CHEMBL612025 | {6-[6-(Allyl-methyl-...)
Show SMILES CN(CCCCCCOc1ccc(cn1)C(=O)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C22H27BrN2O2/c1-3-14-25(2)15-6-4-5-7-16-27-21-13-10-19(17-24-21)22(26)18-8-11-20(23)12-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 8.70n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50125049
PNG
(CHEMBL3623830)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50394836
PNG
(CHEMBL2164234)
Show SMILES CCN(CCO)CCCC#C[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-18H2,1-2H3/t19-,21-
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n/an/a 10n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50159365
PNG
((3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5...)
Show SMILES CCCc1cnc(nc1)N1C[C@H](S)CC1CNCc1cc(F)ccc1F
Show InChI InChI=1S/C19H24F2N4S/c1-2-3-13-8-23-19(24-9-13)25-12-17(26)7-16(25)11-22-10-14-6-15(20)4-5-18(14)21/h4-6,8-9,16-17,22,26H,2-3,7,10-12H2,1H3/t16?,17-/m1/s1
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n/an/a 10.4n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA


J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50394833
PNG
(CHEMBL2164237)
Show SMILES CN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H35F3N2O3S/c1-26(16-17-28)15-5-3-4-6-18-7-11-20(12-8-18)27(2)31(29,30)21-13-9-19(10-14-21)22(23,24)25/h9-10,13-14,18,20,28H,3-8,11-12,15-17H2,1-2H3/t18-,20-
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n/an/a 11.2n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128066
PNG
(CHEMBL66412 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-P...)
Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccc(CN2CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-
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n/an/a 11.3n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130776
PNG
(Allyl-{6-[4-(4-bromo-phenyl)-2H-chromen-7-yloxy]-h...)
Show SMILES CN(CCCCCCOc1ccc2C(=CCOc2c1)c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C25H30BrNO2/c1-3-15-27(2)16-6-4-5-7-17-28-22-12-13-24-23(14-18-29-25(24)19-22)20-8-10-21(26)11-9-20/h3,8-14,19H,1,4-7,15-18H2,2H3
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n/an/a 11.4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50098118
PNG
((2S,4R)-4-Mercapto-2-(2,4,5-trifluoro-benzyloxymet...)
Show SMILES O=c1cc(oc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
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n/an/a 12n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA


J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50130781
PNG
(Allyl-{6-[4-(4-bromo-phenyl)-quinazolin-7-yloxy]-h...)
Show SMILES CN(CCCCCCOc1ccc2c(ncnc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H28BrN3O/c1-3-14-28(2)15-6-4-5-7-16-29-21-12-13-22-23(17-21)26-18-27-24(22)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3
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n/an/a 12.3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50394834
PNG
(CHEMBL2164236)
Show SMILES CCN(CCO)C[C@H]1CC[C@H](CCN(C)C(=O)Oc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H33F3N2O3/c1-3-27(14-15-28)16-18-6-4-17(5-7-18)12-13-26(2)21(29)30-20-10-8-19(9-11-20)22(23,24)25/h8-11,17-18,28H,3-7,12-16H2,1-2H3/t17-,18-
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n/an/a 12.7n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128064
PNG
((E)-N-allyl-4-(3-(4-bromophenyl)benzo[b]thiophen-6...)
Show SMILES CN(CC=C)C\C=C\COc1ccc2c(csc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H22BrNOS/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/b5-4+
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n/an/a 13.5n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM191903
PNG
(US9187429, 36 | US9187429, 37 | US9187429, 38)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
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n/an/a 14n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens)
BDBM50130777
PNG
((4-Bromo-phenyl)-(4-{6-[(3-hydroxy-propyl)-methyl-...)
Show SMILES CN(CCCO)CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H30BrNO3/c1-25(16-6-17-26)15-4-2-3-5-18-28-22-13-9-20(10-14-22)23(27)19-7-11-21(24)12-8-19/h7-14,26H,2-6,15-18H2,1H3
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n/an/a 15.7n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50159364
PNG
(CHEMBL192441 | isopropyl (2S,4R)-2-{[(2,5-difluoro...)
Show SMILES CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F
Show InChI InChI=1S/C16H22F2N2O2S/c1-10(2)22-16(21)20-9-14(23)6-13(20)8-19-7-11-5-12(17)3-4-15(11)18/h3-5,10,13-14,19,23H,6-9H2,1-2H3/t13?,14-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA


J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128070
PNG
((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...)
Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
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n/an/a 16n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50255473
PNG
(2-((4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy...)
Show SMILES CCN(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H25BrN2O2S/c1-2-24(12-13-25)11-3-4-14-26-18-9-10-19-20(15-18)27-23-21(19)16-5-7-17(22)8-6-16/h5-10,15,25H,2-4,11-14H2,1H3
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n/an/a 17.8n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging


J Med Chem 55: 4990-5002 (2012)


Article DOI: 10.1021/jm300256z
BindingDB Entry DOI: 10.7270/Q2BZ674B
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128062
PNG
((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...)
Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+
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n/an/a 18n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens)
BDBM50128062
PNG
((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...)
Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+
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n/an/a 19n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128058
PNG
(ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6...)
Show SMILES CN(CCCCCCOc1ccc2c(nn(C)c2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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n/an/a 19.6n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128058
PNG
(ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6...)
Show SMILES CN(CCCCCCOc1ccc2c(nn(C)c2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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n/an/a 19.6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM191882
PNG
(US9187429, 8)
Show SMILES CC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H17N3O/c1-12(22)21-18-4-2-3-15-16(10-20-11-17(15)18)14-7-5-13(9-19)6-8-14/h5-8,10-11,18H,2-4H2,1H3,(H,21,22)
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n/an/a 21n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50128061
PNG
((4-Bromo-phenyl)-(4-{2-[(cyclopropyl-methyl-amino)...)
Show SMILES CN(C[C@H]1C[C@@H]1COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Show InChI InChI=1S/C22H24BrNO2/c1-24(20-8-9-20)13-17-12-18(17)14-26-21-10-4-16(5-11-21)22(25)15-2-6-19(23)7-3-15/h2-7,10-11,17-18,20H,8-9,12-14H2,1H3/t17-,18-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
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