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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = '24-sterol C-methyltransferase'   
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
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50409741
PNG
(CHEMBL2069130)
Show SMILES CC(O)([C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1CCCCN1
Show InChI InChI=1S/C26H45NO2/c1-24-13-11-18(28)16-17(24)7-8-19-20-9-10-22(25(20,2)14-12-21(19)24)26(3,29)23-6-4-5-15-27-23/h17-23,27-29H,4-16H2,1-3H3/t17?,18-,19-,20-,21-,22-,23?,24-,25-,26?/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195627
PNG
(22,26-azasterol | CHEMBL425634)
Show SMILES C[C@@](O)([C@H]1CC[C@H]2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1CCCCN1
Show InChI InChI=1S/C26H45NO2/c1-24-13-11-18(28)16-17(24)7-8-19-20-9-10-22(25(20,2)14-12-21(19)24)26(3,29)23-6-4-5-15-27-23/h17-23,27-29H,4-16H2,1-3H3/t17-,18-,19?,20-,21-,22-,23?,24-,25-,26+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134737
PNG
((3S,10S,13S,17S)-17-(1-Hydroxy-1-piperidin-3-yl-et...)
Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C1CCCNC1
Show InChI InChI=1S/C26H45NO2/c1-24-12-10-19(28)15-17(24)6-7-20-21-8-9-23(25(21,2)13-11-22(20)24)26(3,29)18-5-4-14-27-16-18/h17-23,27-29H,4-16H2,1-3H3/t17?,18?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195627
PNG
(22,26-azasterol | CHEMBL425634)
Show SMILES C[C@@](O)([C@H]1CC[C@H]2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1CCCCN1
Show InChI InChI=1S/C26H45NO2/c1-24-13-11-18(28)16-17(24)7-8-19-20-9-10-22(25(20,2)14-12-21(19)24)26(3,29)23-6-4-5-15-27-23/h17-23,27-29H,4-16H2,1-3H3/t17-,18-,19?,20-,21-,22-,23?,24-,25-,26+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei brucei recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195636
PNG
(3beta-ol-23,24-bisnor-5-en-22-(butanoic acid) amin...)
Show SMILES C[C@H](CNCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H43NO3/c1-17(16-27-14-4-5-24(29)30)21-8-9-22-20-7-6-18-15-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h6,17,19-23,27-28H,4-5,7-16H2,1-3H3,(H,29,30)/t17-,19+,20?,21-,22+,23+,25+,26-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134726
PNG
(1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-silanyl...)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)(O)C5CCCNC5)[C@@]4(C)CCC23)C1
Show InChI InChI=1S/C32H59NO2Si/c1-29(2,3)36(7,8)35-24-15-17-30(4)22(20-24)11-12-25-26-13-14-28(31(26,5)18-16-27(25)30)32(6,34)23-10-9-19-33-21-23/h22-28,33-34H,9-21H2,1-8H3/t22?,23?,24-,25?,26?,27?,28-,30-,31-,32?/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50409742
PNG
(CHEMBL2069129)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)(O)C5CCCCN5)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C32H59NO2Si/c1-29(2,3)36(7,8)35-23-16-18-30(4)22(21-23)12-13-24-25-14-15-27(31(25,5)19-17-26(24)30)32(6,34)28-11-9-10-20-33-28/h22-28,33-34H,9-21H2,1-8H3/t22?,23-,24-,25-,26-,27-,28?,30-,31-,32?/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134736
PNG
(1-{2-[1-Hydroxy-1-((3S,10S,13S,17S)-3-hydroxy-10,1...)
Show SMILES CCC(=O)N1CCCCC1C(C)(O)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C29H49NO3/c1-5-26(32)30-17-7-6-8-25(30)29(4,33)24-12-11-22-21-10-9-19-18-20(31)13-15-27(19,2)23(21)14-16-28(22,24)3/h19-25,31,33H,5-18H2,1-4H3/t19?,20-,21?,22?,23?,24-,25?,27-,28-,29?/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134738
PNG
((3S,10S,13S,17S)-17-(1-Hydroxy-1-pyridin-3-yl-ethy...)
Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1cccnc1
Show InChI InChI=1S/C26H39NO2/c1-24-12-10-19(28)15-17(24)6-7-20-21-8-9-23(25(21,2)13-11-22(20)24)26(3,29)18-5-4-14-27-16-18/h4-5,14,16-17,19-23,28-29H,6-13,15H2,1-3H3/t17?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1
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n/an/a 3.85E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195640
PNG
(3beta-ol-23,24-bisnor-5-en-22-(pentanoic acid) ami...)
Show SMILES C[C@H](CNCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H45NO3/c1-18(17-28-15-5-4-6-25(30)31)22-9-10-23-21-8-7-19-16-20(29)11-13-26(19,2)24(21)12-14-27(22,23)3/h7,18,20-24,28-29H,4-6,8-17H2,1-3H3,(H,30,31)/t18-,20+,21?,22-,23+,24+,26+,27-/m1/s1
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n/an/a 4.89E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134731
PNG
(1-{3-[1-Hydroxy-1-((3S,10S,13S,17S)-3-hydroxy-10,1...)
Show SMILES CCC(=O)N1CCCC(C1)C(C)(O)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C29H49NO3/c1-5-26(32)30-16-6-7-20(18-30)29(4,33)25-11-10-23-22-9-8-19-17-21(31)12-14-27(19,2)24(22)13-15-28(23,25)3/h19-25,31,33H,5-18H2,1-4H3/t19?,20?,21-,22?,23?,24?,25-,27-,28-,29?/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195630
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(6-(2-Z-amino)b...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C45H60N2O7/c1-30(37-20-21-38-36-19-18-34-27-35(54-31(2)48)22-24-44(34,3)39(36)23-25-45(37,38)4)41(49)46-26-12-11-17-40(42(50)52-28-32-13-7-5-8-14-32)47-43(51)53-29-33-15-9-6-10-16-33/h5-10,13-16,18,30,35-40H,11-12,17,19-29H2,1-4H3,(H,46,49)(H,47,51)/t30-,35-,36?,37+,38-,39-,40-,44-,45+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195631
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl he...)
Show SMILES COC(=O)CCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C31H51NO4/c1-21(20-32-18-8-6-7-9-29(34)35-5)26-12-13-27-25-11-10-23-19-24(36-22(2)33)14-16-30(23,3)28(25)15-17-31(26,27)4/h10,21,24-28,32H,6-9,11-20H2,1-5H3/t21-,24+,25?,26-,27+,28+,30+,31-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195632
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(5-(2-Z-amino)p...)
Show SMILES C[C@H](CNCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C37H54N2O6/c1-24(22-38-20-8-11-33(34(41)42)39-35(43)44-23-26-9-6-5-7-10-26)30-14-15-31-29-13-12-27-21-28(45-25(2)40)16-18-36(27,3)32(29)17-19-37(30,31)4/h5-7,9-10,12,24,28-33,38H,8,11,13-23H2,1-4H3,(H,39,43)(H,41,42)/t24-,28+,29?,30-,31+,32+,33+,36+,37-/m1/s1
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Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195633
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl et...)
Show SMILES COC(=O)CNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C27H43NO4/c1-17(15-28-16-25(30)31-5)22-8-9-23-21-7-6-19-14-20(32-18(2)29)10-12-26(19,3)24(21)11-13-27(22,23)4/h6,17,20-24,28H,7-16H2,1-5H3/t17-,20+,21?,22-,23+,24+,26+,27-/m1/s1
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Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195635
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl pe...)
Show SMILES COC(=O)CCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C30H49NO4/c1-20(19-31-17-7-6-8-28(33)34-5)25-11-12-26-24-10-9-22-18-23(35-21(2)32)13-15-29(22,3)27(24)14-16-30(25,26)4/h9,20,23-27,31H,6-8,10-19H2,1-5H3/t20-,23+,24?,25-,26+,27+,29+,30-/m1/s1
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Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195634
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(4-(2-Boc-amino...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C33H52N2O7/c1-19(28(37)34-17-14-27(29(38)39)35-30(40)42-31(3,4)5)24-10-11-25-23-9-8-21-18-22(41-20(2)36)12-15-32(21,6)26(23)13-16-33(24,25)7/h8,19,22-27H,9-18H2,1-7H3,(H,34,37)(H,35,40)(H,38,39)/t19-,22-,23?,24+,25-,26-,27-,32-,33+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195639
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(octanoic ...)
Show SMILES C[C@H](CNCCCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C32H53NO4/c1-22(21-33-19-9-7-5-6-8-10-30(35)36)27-13-14-28-26-12-11-24-20-25(37-23(2)34)15-17-31(24,3)29(26)16-18-32(27,28)4/h11,22,25-29,33H,5-10,12-21H2,1-4H3,(H,35,36)/t22-,25+,26?,27-,28+,29+,31+,32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195637
PNG
(3beta-ol-23,24-bisnor-5-en-22-(ethanoic acid) amin...)
Show SMILES C[C@H](CNCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H39NO3/c1-15(13-25-14-22(27)28)19-6-7-20-18-5-4-16-12-17(26)8-10-23(16,2)21(18)9-11-24(19,20)3/h4,15,17-21,25-26H,5-14H2,1-3H3,(H,27,28)/t15-,17+,18?,19-,20+,21+,23+,24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195641
PNG
(3beta-ol-23,24-bisnor-5-en-22-(octanoic acid) amin...)
Show SMILES C[C@H](CNCCCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C30H51NO3/c1-21(20-31-18-8-6-4-5-7-9-28(33)34)25-12-13-26-24-11-10-22-19-23(32)14-16-29(22,2)27(24)15-17-30(25,26)3/h10,21,23-27,31-32H,4-9,11-20H2,1-3H3,(H,33,34)/t21-,23+,24?,25-,26+,27+,29+,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195643
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(butanoic ...)
Show SMILES C[C@H](CNCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C28H45NO4/c1-18(17-29-15-5-6-26(31)32)23-9-10-24-22-8-7-20-16-21(33-19(2)30)11-13-27(20,3)25(22)12-14-28(23,24)4/h7,18,21-25,29H,5-6,8-17H2,1-4H3,(H,31,32)/t18-,21+,22?,23-,24+,25+,27+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195653
PNG
(3beta-ol-23,24-bisnor-5-en-22-(ethanoic acid) amid...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCC(O)=O
Show InChI InChI=1S/C24H37NO4/c1-14(22(29)25-13-21(27)28)18-6-7-19-17-5-4-15-12-16(26)8-10-23(15,2)20(17)9-11-24(18,19)3/h4,14,16-20,26H,5-13H2,1-3H3,(H,25,29)(H,27,28)/t14-,16-,17?,18+,19-,20-,23-,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195652
PNG
(3beta-ol-23,24-bisnor-5-en-22-(5-(2-Z-amino)pentan...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H50N2O6/c1-22(31(39)36-19-7-10-30(32(40)41)37-33(42)43-21-23-8-5-4-6-9-23)27-13-14-28-26-12-11-24-20-25(38)15-17-34(24,2)29(26)16-18-35(27,28)3/h4-6,8-9,11,22,25-30,38H,7,10,12-21H2,1-3H3,(H,36,39)(H,37,42)(H,40,41)/t22-,25-,26?,27+,28-,29-,30-,34-,35+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195654
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(4-(2-Boc-amino...)
Show SMILES C[C@H](CNCC[C@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C33H54N2O6/c1-20(19-34-17-14-28(29(37)38)35-30(39)41-31(3,4)5)25-10-11-26-24-9-8-22-18-23(40-21(2)36)12-15-32(22,6)27(24)13-16-33(25,26)7/h8,20,23-28,34H,9-19H2,1-7H3,(H,35,39)(H,37,38)/t20-,23+,24?,25-,26+,27+,28+,32+,33-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195621
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl he...)
Show SMILES COC(=O)CCCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C32H53NO4/c1-22(21-33-19-9-7-6-8-10-30(35)36-5)27-13-14-28-26-12-11-24-20-25(37-23(2)34)15-17-31(24,3)29(26)16-18-32(27,28)4/h11,22,25-29,33H,6-10,12-21H2,1-5H3/t22-,25+,26?,27-,28+,29+,31+,32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195650
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(3-(2-Boc-amino...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H50N2O7/c1-18(27(36)33-17-26(28(37)38)34-29(39)41-30(3,4)5)23-10-11-24-22-9-8-20-16-21(40-19(2)35)12-14-31(20,6)25(22)13-15-32(23,24)7/h8,18,21-26H,9-17H2,1-7H3,(H,33,36)(H,34,39)(H,37,38)/t18-,21-,22?,23+,24-,25-,26-,31-,32+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195621
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl he...)
Show SMILES COC(=O)CCCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C32H53NO4/c1-22(21-33-19-9-7-6-8-10-30(35)36-5)27-13-14-28-26-12-11-24-20-25(37-23(2)34)15-17-31(24,3)29(26)16-18-32(27,28)4/h11,22,25-29,33H,6-10,12-21H2,1-5H3/t22-,25+,26?,27-,28+,29+,31+,32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei brucei recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195622
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl oc...)
Show SMILES COC(=O)CCCCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C33H55NO4/c1-23(22-34-20-10-8-6-7-9-11-31(36)37-5)28-14-15-29-27-13-12-25-21-26(38-24(2)35)16-18-32(25,3)30(27)17-19-33(28,29)4/h12,23,26-30,34H,6-11,13-22H2,1-5H3/t23-,26+,27?,28-,29+,30+,32+,33-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195623
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(5-(2-Z-amino)p...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H52N2O7/c1-23(33(41)38-20-8-11-32(34(42)43)39-35(44)45-22-25-9-6-5-7-10-25)29-14-15-30-28-13-12-26-21-27(46-24(2)40)16-18-36(26,3)31(28)17-19-37(29,30)4/h5-7,9-10,12,23,27-32H,8,11,13-22H2,1-4H3,(H,38,41)(H,39,44)(H,42,43)/t23-,27-,28?,29+,30-,31-,32-,36-,37+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195625
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl pr...)
Show SMILES COC(=O)CCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C28H45NO4/c1-18(17-29-15-12-26(31)32-5)23-8-9-24-22-7-6-20-16-21(33-19(2)30)10-13-27(20,3)25(22)11-14-28(23,24)4/h6,18,21-25,29H,7-17H2,1-5H3/t18-,21+,22?,23-,24+,25+,27+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195642
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl bu...)
Show SMILES COC(=O)CCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C29H47NO4/c1-19(18-30-16-6-7-27(32)33-5)24-10-11-25-23-9-8-21-17-22(34-20(2)31)12-14-28(21,3)26(23)13-15-29(24,25)4/h8,19,22-26,30H,6-7,9-18H2,1-5H3/t19-,22+,23?,24-,25+,26+,28+,29-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195631
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl he...)
Show SMILES COC(=O)CCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C31H51NO4/c1-21(20-32-18-8-6-7-9-29(34)35-5)26-12-13-27-25-11-10-23-19-24(36-22(2)33)14-16-30(23,3)28(25)15-17-31(26,27)4/h10,21,24-28,32H,6-9,11-20H2,1-5H3/t21-,24+,25?,26-,27+,28+,30+,31-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei brucei recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195638
PNG
(3beta-ol-23,24-bisnor-5-en-22-(butanoic acid) amid...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C26H41NO4/c1-16(24(31)27-14-4-5-23(29)30)20-8-9-21-19-7-6-17-15-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h6,16,18-22,28H,4-5,7-15H2,1-3H3,(H,27,31)(H,29,30)/t16-,18-,19?,20+,21-,22-,25-,26+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195648
PNG
(3beta-ol-23,24-bisnor-5-en-22-(heptanoic acid) ami...)
Show SMILES C[C@H](CNCCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H49NO3/c1-20(19-30-17-7-5-4-6-8-27(32)33)24-11-12-25-23-10-9-21-18-22(31)13-15-28(21,2)26(23)14-16-29(24,25)3/h9,20,22-26,30-31H,4-8,10-19H2,1-3H3,(H,32,33)/t20-,22+,23?,24-,25+,26+,28+,29-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195626
PNG
(3beta-ol-23,24-bisnor-5-en-22-(propanoic acid) ami...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H39NO4/c1-15(23(30)26-13-10-22(28)29)19-6-7-20-18-5-4-16-14-17(27)8-11-24(16,2)21(18)9-12-25(19,20)3/h4,15,17-21,27H,5-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,17-,18?,19+,20-,21-,24-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195647
PNG
(3beat-ol-23,24-bisnor-5-en-22-(6-(2-Z-amino) hexan...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C36H52N2O6/c1-23(32(40)37-20-8-7-11-31(33(41)42)38-34(43)44-22-24-9-5-4-6-10-24)28-14-15-29-27-13-12-25-21-26(39)16-18-35(25,2)30(27)17-19-36(28,29)3/h4-6,9-10,12,23,26-31,39H,7-8,11,13-22H2,1-3H3,(H,37,40)(H,38,43)(H,41,42)/t23-,26-,27?,28+,29-,30-,31-,35-,36+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195644
PNG
(3beta-ol-23,24-bisnor-5-en-22-(6-(2-amino) hexanoa...)
Show SMILES COC(=O)[C@@H](N)CCCCNC(=O)[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H48N2O4/c1-18(26(33)31-16-6-5-7-25(30)27(34)35-4)22-10-11-23-21-9-8-19-17-20(32)12-14-28(19,2)24(21)13-15-29(22,23)3/h8,18,20-25,32H,5-7,9-17,30H2,1-4H3,(H,31,33)/t18-,20-,21?,22+,23-,24-,25-,28-,29+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195645
PNG
(3beta-ol-23,24-bisnor-5-en-22-(octanoic acid) amid...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCCCCCCC(O)=O
Show InChI InChI=1S/C30H49NO4/c1-20(28(35)31-18-8-6-4-5-7-9-27(33)34)24-12-13-25-23-11-10-21-19-22(32)14-16-29(21,2)26(23)15-17-30(24,25)3/h10,20,22-26,32H,4-9,11-19H2,1-3H3,(H,31,35)(H,33,34)/t20-,22-,23?,24+,25-,26-,29-,30+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195646
PNG
(3beta-ol-23,24-bisnor-5-en-22-(pentanoic acid) ami...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C27H43NO4/c1-17(25(32)28-15-5-4-6-24(30)31)21-9-10-22-20-8-7-18-16-19(29)11-13-26(18,2)23(20)12-14-27(21,22)3/h7,17,19-23,29H,4-6,8-16H2,1-3H3,(H,28,32)(H,30,31)/t17-,19-,20?,21+,22-,23-,26-,27+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195642
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl bu...)
Show SMILES COC(=O)CCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C29H47NO4/c1-19(18-30-16-6-7-27(32)33-5)24-10-11-25-23-9-8-21-17-22(34-20(2)31)12-14-28(21,3)26(23)13-15-29(24,25)4/h8,19,22-26,30H,6-7,9-18H2,1-5H3/t19-,22+,23?,24-,25+,26+,28+,29-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei brucei recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195649
PNG
(3beta-ol-23,24-bisnor-5-en-22-(hexanoic acid) amin...)
Show SMILES C[C@H](CNCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H47NO3/c1-19(18-29-16-6-4-5-7-26(31)32)23-10-11-24-22-9-8-20-17-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h8,19,21-25,29-30H,4-7,9-18H2,1-3H3,(H,31,32)/t19-,21+,22?,23-,24+,25+,27+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195651
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(hexanoic ...)
Show SMILES C[C@H](CNCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C30H49NO4/c1-20(19-31-17-7-5-6-8-28(33)34)25-11-12-26-24-10-9-22-18-23(35-21(2)32)13-15-29(22,3)27(24)14-16-30(25,26)4/h9,20,23-27,31H,5-8,10-19H2,1-4H3,(H,33,34)/t20-,23+,24?,25-,26+,27+,29+,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195629
PNG
(3beta-acetoxy-23,24-bisnor-5-en-22-(3-(2-Boc-amino...)
Show SMILES C[C@H](CNC[C@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C32H52N2O6/c1-19(17-33-18-27(28(36)37)34-29(38)40-30(3,4)5)24-10-11-25-23-9-8-21-16-22(39-20(2)35)12-14-31(21,6)26(23)13-15-32(24,25)7/h8,19,22-27,33H,9-18H2,1-7H3,(H,34,38)(H,36,37)/t19-,22+,23?,24-,25+,26+,27+,31+,32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195628
PNG
(3beta-ol-23,24-bisnor-5-en-22-(heptanoic acid) ami...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C29H47NO4/c1-19(27(34)30-17-7-5-4-6-8-26(32)33)23-11-12-24-22-10-9-20-18-21(31)13-15-28(20,2)25(22)14-16-29(23,24)3/h9,19,21-25,31H,4-8,10-18H2,1-3H3,(H,30,34)(H,32,33)/t19-,21-,22?,23+,24-,25-,28-,29+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195624
PNG
(3beta-ol-23,24-bisnor-5-en-22-(hexanoic acid) amid...)
Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C28H45NO4/c1-18(26(33)29-16-6-4-5-7-25(31)32)22-10-11-23-21-9-8-19-17-20(30)12-14-27(19,2)24(21)13-15-28(22,23)3/h8,18,20-24,30H,4-7,9-17H2,1-3H3,(H,29,33)(H,31,32)/t18-,20-,21?,22+,23-,24-,27-,28+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134724
PNG
(1-(2-{1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-s...)
Show SMILES CCC(=O)N1CCCCC1C(C)(O)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)O[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C35H63NO3Si/c1-10-31(37)36-22-12-11-13-30(36)35(7,38)29-17-16-27-26-15-14-24-23-25(39-40(8,9)32(2,3)4)18-20-33(24,5)28(26)19-21-34(27,29)6/h24-30,38H,10-23H2,1-9H3/t24?,25-,26?,27?,28?,29-,30?,33-,34-,35?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134734
PNG
(1-[(3S,10S,17S)-3-(tert-Butyl-dimethyl-silanyloxy)...)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@@H](C4CCC23)C(C)(O)c2ccncc2Cl)C1
Show InChI InChI=1S/C31H50ClNO2Si/c1-29(2,3)36(6,7)35-21-14-16-30(4)20(18-21)8-9-23-22-10-13-26(24(22)11-12-25(23)30)31(5,34)27-15-17-33-19-28(27)32/h15,17,19-26,34H,8-14,16,18H2,1-7H3/t20?,21-,22?,23?,24?,25?,26-,30-,31?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134729
PNG
(1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-silanyl...)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)(O)c5ccccn5)[C@@]4(C)CCC23)C1
Show InChI InChI=1S/C32H53NO2Si/c1-29(2,3)36(7,8)35-23-16-18-30(4)22(21-23)12-13-24-25-14-15-27(31(25,5)19-17-26(24)30)32(6,34)28-11-9-10-20-33-28/h9-11,20,22-27,34H,12-19,21H2,1-8H3/t22?,23-,24?,25?,26?,27-,30-,31-,32?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134730
PNG
(1-(3-{1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-s...)
Show SMILES CCC(=O)N1CCCC(C1)C(C)(O)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)O[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C35H63NO3Si/c1-10-31(37)36-21-11-12-25(23-36)35(7,38)30-16-15-28-27-14-13-24-22-26(39-40(8,9)32(2,3)4)17-19-33(24,5)29(27)18-20-34(28,30)6/h24-30,38H,10-23H2,1-9H3/t24?,25?,26-,27?,28?,29?,30-,33-,34-,35?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50134723
PNG
((3S,10S,13S,17S)-17-(1-Hydroxy-1-pyridin-4-yl-ethy...)
Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1ccncc1
Show InChI InChI=1S/C26H39NO2/c1-24-12-8-19(28)16-18(24)4-5-20-21-6-7-23(25(21,2)13-9-22(20)24)26(3,29)17-10-14-27-15-11-17/h10-11,14-15,18-23,28-29H,4-9,12-13,16H2,1-3H3/t18?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)


Citation and Details
More data for this
Ligand-Target Pair
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