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BDBM50134731 1-{3-[1-Hydroxy-1-((3S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethyl]-piperidin-1-yl}-propan-1-one::CHEMBL141996

SMILES: CCC(=O)N1CCCC(C1)C(C)(O)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=LEYRPDALVKRUEV-NOAALJHXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134731   
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)		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
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)

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