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BDBM50195625 3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl propanoate) amine::CHEMBL216562

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

InChI Key: InChIKey=ZKBSJINIPJJEOF-UTSTZFFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195625   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |t:16|
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
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


J Med Chem 49: 6094-103 (2006)


Article DOI: 10.1021/jm060290f
BindingDB Entry DOI: 10.7270/Q2TB16JJ
More data for this
Ligand-Target Pair