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BDBM50134737 (3S,10S,13S,17S)-17-(1-Hydroxy-1-piperidin-3-yl-ethyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol::CHEMBL343703

SMILES: CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C1CCCNC1

InChI Key: InChIKey=GKFMYDYALVUXPQ-ZWHXBWEBSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134737   
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)		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
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)

J Med Chem 46: 4714-27 (2003)


Article DOI: 10.1021/jm021114j
BindingDB Entry DOI: 10.7270/Q2K073PR
More data for this
Ligand-Target Pair