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BDBM50134728 (3S,10S,13S,17S)-17-[1-(3-Chloro-pyridin-4-yl)-1-hydroxy-ethyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol::CHEMBL359216

SMILES: CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1ccncc1Cl

InChI Key: InChIKey=PSFZJORHXRNDIL-VNFQXRSUSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134728   
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)		BDBM50134728
PNG
((3S,10S,13S,17S)-17-[1-(3-Chloro-pyridin-4-yl)-1-h...)
Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1ccncc1Cl
Show InChI InChI=1S/C26H38ClNO2/c1-24-11-8-17(29)14-16(24)4-5-18-19-6-7-23(25(19,2)12-9-20(18)24)26(3,30)21-10-13-28-15-22(21)27/h10,13,15-20,23,29-30H,4-9,11-12,14H2,1-3H3/t16?,17-,18?,19?,20?,23-,24-,25-,26?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)

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