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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Cycloartenol synthase' AND taxid = 3702   
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
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255432
PNG
(CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...)
Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C21H23BrN2OS/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/h3,6-11,15H,1,4-5,12-14H2,2H3
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n/an/a 70n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 250n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 260n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255602
PNG
(CHEMBL520926 | N-(4-(4-(1-(diethylamino)cyclopropy...)
Show SMILES CCN(CC)C1(CCCC[C@H]2CC[C@@H](CC2)N(C)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C25H39F3N2O2S/c1-4-30(5-2)24(18-19-24)17-7-6-8-20-9-13-22(14-10-20)29(3)33(31,32)23-15-11-21(12-16-23)25(26,27)28/h11-12,15-16,20,22H,4-10,13-14,17-19H2,1-3H3/t20-,22-
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n/an/a 320n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255532
PNG
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C
Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/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 440n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255433
PNG
(4-(4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(OCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H23BrN2O2S/c22-17-5-3-16(4-6-17)21-19-8-7-18(15-20(19)27-23-21)26-12-2-1-9-24-10-13-25-14-11-24/h3-8,15H,1-2,9-14H2
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n/an/a 480n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255476
PNG
(2-((3-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pr...)
Show SMILES CCN(CCO)CC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN2OS/c1-2-23(12-13-24)11-3-4-15-5-10-18-19(14-15)25-22-20(18)16-6-8-17(21)9-7-16/h5-10,14,24H,2,11-13H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255474
PNG
(4-(5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pen...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(CCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C22H25BrN2OS/c23-19-8-6-18(7-9-19)22-20-10-5-17(16-21(20)27-24-22)4-2-1-3-11-25-12-14-26-15-13-25/h5-10,16H,1-4,11-15H2
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n/an/a 650n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255531
PNG
(4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pe...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C23H37ClN2O3/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,3-9,12-13,16-18H2,1-2H3/t19-,21-
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n/an/a 700n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255530
PNG
(CHEMBL516767 | N-(4-(3-(4-bromophenyl)benzo[d]isot...)
Show SMILES CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrN2O3S/c1-15(26)24(11-12-25)10-2-3-13-27-18-8-9-19-20(14-18)28-23-21(19)16-4-6-17(22)7-5-16/h4-9,14,25H,2-3,10-13H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 950n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255533
PNG
(CHEMBL481200 | N-(4-(5-(diethylamino)pentyl)cycloh...)
Show SMILES CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H37F3N2O2S/c1-4-28(5-2)18-8-6-7-9-19-10-14-21(15-11-19)27(3)31(29,30)22-16-12-20(13-17-22)23(24,25)26/h12-13,16-17,19,21H,4-11,14-15,18H2,1-3H3/t19-,21-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 1.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255477
PNG
(2-((4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)-2...)
Show SMILES CCN(CCO)C(C)(C)C#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H23BrN2OS/c1-4-25(13-14-26)22(2,3)12-11-16-5-10-19-20(15-16)27-24-21(19)17-6-8-18(23)9-7-17/h5-10,15,26H,4,13-14H2,1-3H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255599
PNG
(CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)p...)
Show SMILES CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H37F3N2O4S/c1-27(33(31,32)22-12-8-20(9-13-22)23(24,25)26)21-10-6-19(7-11-21)5-3-2-4-14-28(15-17-29)16-18-30/h8-9,12-13,19,21,29-30H,2-7,10-11,14-18H2,1H3/t19-,21-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255475
PNG
(2-((5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pe...)
Show SMILES CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H23BrN2OS/c1-2-25(14-15-26)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16,26H,2-3,5,13-15H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 1.75E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255600
PNG
(CHEMBL481208 | N,N-diethyl-5-(4-(N-methyl-4-(trifl...)
Show SMILES CCN(CC)C(=O)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H35F3N2O3S/c1-4-28(5-2)22(29)9-7-6-8-18-10-14-20(15-11-18)27(3)32(30,31)21-16-12-19(13-17-21)23(24,25)26/h12-13,16-18,20H,4-11,14-15H2,1-3H3/t18-,20-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 2.30E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 2.50E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 2.60E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255430
PNG
(CHEMBL473035 | N-(4-(5-(ethyl(2-hydroxyethyl)amino...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H37F3N2O3S/c1-3-28(17-18-29)16-6-4-5-7-19-8-12-21(13-9-19)27(2)32(30,31)22-14-10-20(11-15-22)23(24,25)26/h10-11,14-15,19,21,29H,3-9,12-13,16-18H2,1-2H3/t19-,21-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 3.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255601
PNG
(CHEMBL481209 | N-(4-(5-(diethylamino)-5-methylhexy...)
Show SMILES CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H41F3N2O2S/c1-6-30(7-2)24(3,4)19-9-8-10-20-11-15-22(16-12-20)29(5)33(31,32)23-17-13-21(14-18-23)25(26,27)28/h13-14,17-18,20,22H,6-12,15-16,19H2,1-5H3/t20-,22-
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n/an/a 4.10E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
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 1.00E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair