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Found 36 hits Enz. Inhib. hit(s) with Target = 'Squalene-hopene cyclase' AND taxid = 521098   
Target
(Institution)
LigandTarget
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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128056
PNG
((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...)
Show SMILES CN(CC=C)C\C=C\COc1ccc2c(coc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H22BrNO2/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 23n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 29n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128048
PNG
((4-Bromo-phenyl)-{4-[6-(cyclopropyl-methyl-amino)-...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1
Show InChI InChI=1S/C23H27BrFNO2/c1-26(19-10-11-19)14-4-2-3-5-15-28-20-12-13-21(22(25)16-20)23(27)17-6-8-18(24)9-7-17/h6-9,12-13,16,19H,2-5,10-11,14-15H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 40n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128046
PNG
((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...)
Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O2/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3-11,15H,1,12-14H2,2H3/b5-4+
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n/an/a 49n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128069
PNG
((4-Bromo-phenyl)-(4-{2-[(cyclopropyl-methyl-amino)...)
Show SMILES CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1
Show InChI InChI=1S/C22H23BrFNO2/c1-25(18-6-7-18)12-15-10-16(15)13-27-19-8-9-20(21(24)11-19)22(26)14-2-4-17(23)5-3-14/h2-5,8-9,11,15-16,18H,6-7,10,12-13H2,1H3/t15-,16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128072
PNG
((4-{2-[(Allyl-cyclopropyl-amino)-methyl]-cycloprop...)
Show SMILES Brc1ccc(cc1)C(=O)c1ccc(OC[C@H]2C[C@@H]2CN(CC=C)C2CC2)cc1
Show InChI InChI=1S/C24H26BrNO2/c1-2-13-26(22-9-10-22)15-19-14-20(19)16-28-23-11-5-18(6-12-23)24(27)17-3-7-21(25)8-4-17/h2-8,11-12,19-20,22H,1,9-10,13-16H2/t19-,20-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 60n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 62n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 75n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128068
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yl...)
Show SMILES CN(CCCCCCOc1ccc2c(noc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2O2/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 75n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128045
PNG
(ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-H...)
Show SMILES CN(CCCCCCOc1ccc2c(coc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H28BrNO2/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 80n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 96n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128049
PNG
(CHEMBL291640 | Methyl-{4-[4-(1-oxy-piperidin-1-ylm...)
Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccc(C[N+]2([O-])CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN2O3/c1-28(26(30)32-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29(31)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 123n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128047
PNG
((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)
Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12
Show InChI InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/b5-4+
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n/an/a 130n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128052
PNG
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)
Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 141n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 172n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128051
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-1H-indazol-6-yloxy]-h...)
Show SMILES CN(CCCCCCOc1ccc2c(n[nH]c2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H28BrN3O/c1-3-14-27(2)15-6-4-5-7-16-28-20-12-13-21-22(17-20)25-26-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3,(H,25,26)
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n/an/a 180n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 186n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128067
PNG
((2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METH...)
Show SMILES CN(CC=C)C\C=C\COc1cc2n(C)nc(-c3ccc(Br)cc3)c2cc1F
Show InChI InChI=1S/C22H23BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15H,1,11-13H2,2-3H3/b6-5+
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n/an/a 281n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 289n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 306n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128053
PNG
(Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-...)
Show SMILES CN(CCCCCCOc1ccc2c(C)nn(C)c2c1)CC=C
Show InChI InChI=1S/C19H29N3O/c1-5-12-21(3)13-8-6-7-9-14-23-17-10-11-18-16(2)20-22(4)19(18)15-17/h5,10-11,15H,1,6-9,12-14H2,2-4H3
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n/an/a 332n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
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 406n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128057
PNG
(CHEMBL262532 | N-(6-(1-(4-fluorobenzoyl)piperidin-...)
Show SMILES CN(CCCCCCOC1CCN(CC1)C(=O)c1ccc(F)cc1)C1CC1
Show InChI InChI=1S/C22H33FN2O2/c1-24(20-10-11-20)14-4-2-3-5-17-27-21-12-15-25(16-13-21)22(26)18-6-8-19(23)9-7-18/h6-9,20-21H,2-5,10-17H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128059
PNG
(CHEMBL66359 | N-allyl-6-(1-(4-fluorobenzoyl)piperi...)
Show SMILES CN(CCCCCCOC1CCN(CC1)C(=O)c1ccc(F)cc1)CC=C
Show InChI InChI=1S/C22H33FN2O2/c1-3-14-24(2)15-6-4-5-7-18-27-21-12-16-25(17-13-21)22(26)19-8-10-20(23)11-9-19/h3,8-11,21H,1,4-7,12-18H2,2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143434
PNG
(7-((E)-5-{3-[2-(3,3-Dimethyl-oxiranyl)-ethyl]-3-me...)
Show SMILES C\C(CCC1OC1(C)CCC1OC1(C)C)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O5/c1-16(5-9-21-24(4,29-21)13-11-20-23(2,3)28-20)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143437
PNG
(7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-...)
Show SMILES C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O4/c1-17(8-12-22-24(3,4)28-22)6-5-7-18(2)14-15-26-20-11-9-19-10-13-23(25)27-21(19)16-20/h6,9-11,13-14,16,22H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128071
PNG
((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC(CC1)=Cc1ccc(cc1)C1=NCCO1
Show InChI InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143432
PNG
(7-[(E)-3-Methyl-5-((1R,2R)-1,3,3-trimethyl-7-oxa-b...)
Show SMILES C\C(CC[C@H]1[C@@]2(C)CC[C@@H](O2)C1(C)C)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20-,21-,24-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143430
PNG
(7-((2E,6E)-10,11-Dihydroxy-3,7,11-trimethyl-dodeca...)
Show SMILES C\C(CC\C=C(/C)CCC(O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H32O5/c1-17(8-12-22(25)24(3,4)27)6-5-7-18(2)14-15-28-20-11-9-19-10-13-23(26)29-21(19)16-20/h6,9-11,13-14,16,22,25,27H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+
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n/an/a 6.50E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143431
PNG
(7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-...)
Show SMILES C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C24H30O5/c1-16(8-10-22-24(3,4)29-22)6-5-7-17(2)12-13-27-21-15-20-18(14-19(21)25)9-11-23(26)28-20/h6,9,11-12,14-15,22,25H,5,7-8,10,13H2,1-4H3/b16-6+,17-12+
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n/an/a 6.70E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143435
PNG
(7-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143436
PNG
(4-Hydroxy-3-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,1...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
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n/an/a 9.00E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143433
PNG
(Acetic acid 4-acetoxy-3-[(2E,6E)-9-(3,3-dimethyl-o...)
Show SMILES CC(=O)Oc1ccc2c(OC(C)=O)c(C\C=C(/C)CC\C=C(/C)CCC3OC3(C)C)c(=O)oc2c1
Show InChI InChI=1S/C28H34O7/c1-17(8-7-9-18(2)11-15-25-28(5,6)35-25)10-13-23-26(33-20(4)30)22-14-12-21(32-19(3)29)16-24(22)34-27(23)31/h9-10,12,14,16,25H,7-8,11,13,15H2,1-6H3/b17-10+,18-9+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair