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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'S-adenosyl-L-methionine:delta24-sterol-C-methyltransferase' AND taxid = 3847   
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
S-adenosyl-L-methionine:delta24-sterol-C-methyltransferase


(Glycine max)
BDBM50371191
PNG
(CHEMBL238349)
Show SMILES CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C
Show InChI InChI=1S/C29H50OS/c1-19(2)31-17-12-20(3)21-10-13-27(7)23-9-8-22-25(4,5)24(30)11-14-28(22)18-29(23,28)16-15-26(21,27)6/h19-24,30H,8-18H2,1-7H3/t20-,21-,22+,23+,24+,26-,27+,28?,29?/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Texas Tech University

Curated by ChEMBL


Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
S-adenosyl-L-methionine:delta24-sterol-C-methyltransferase


(Glycine max)
BDBM50371192
PNG
(CHEMBL393145)
Show SMILES C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C
Show InChI InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29?,30?/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



Texas Tech University

Curated by ChEMBL


Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
S-adenosyl-L-methionine:delta24-sterol-C-methyltransferase


(Glycine max)
BDBM50371190
PNG
(CHEMBL446376)
Show SMILES CC(CC\C=C(/C)C=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C
Show InChI InChI=1S/C31H50O/c1-8-21(2)10-9-11-22(3)23-14-16-29(7)25-13-12-24-27(4,5)26(32)15-17-30(24)20-31(25,30)19-18-28(23,29)6/h8,10,22-26,32H,1,9,11-20H2,2-7H3/b21-10+/t22?,23-,24+,25+,26+,28-,29+,30?,31?/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.70E+4n/an/an/an/an/an/an/an/a



Texas Tech University

Curated by ChEMBL


Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
S-adenosyl-L-methionine:delta24-sterol-C-methyltransferase


(Glycine max)
BDBM50371193
PNG
(CHEMBL238348)
Show SMILES CC(CC\C=C(/C)C#C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C
Show InChI InChI=1S/C31H48O/c1-8-21(2)10-9-11-22(3)23-14-16-29(7)25-13-12-24-27(4,5)26(32)15-17-30(24)20-31(25,30)19-18-28(23,29)6/h1,10,22-26,32H,9,11-20H2,2-7H3/b21-10+/t22?,23-,24+,25+,26+,28-,29+,30?,31?/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Texas Tech University

Curated by ChEMBL


Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair