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BDBM50287472 1-((S)-10,13-Dimethyl-17-octyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl)-3,3,4,4,4-pentafluoro-butan-2-one::CHEMBL3137812

SMILES: [H][C@@]12CCC(CCCCCCCC)C1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CCC12C

InChI Key: InChIKey=YIGWXSSBGGBKSV-JTLMWZOASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287472   
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
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50287472
PNG
(1-((S)-10,13-Dimethyl-17-octyl-hexadecahydro-cyclo...)
Show SMILES [H][C@@]12CCC(CCCCCCCC)C1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CCC12C
Show InChI InChI=1S/C31H49F5O/c1-4-5-6-7-8-9-10-22-12-14-25-24-13-11-23-19-21(20-27(37)30(32,33)31(34,35)36)15-17-29(23,3)26(24)16-18-28(22,25)2/h21-26H,4-20H2,1-3H3/t21-,22?,23?,24-,25-,26-,28?,29?/m0/s1
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KEGG

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UniChem

Similars
Article
n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ancreatic cholesterol esterase using using p-nitrophenylacetate or cholesteryl [1-14C]-oleate as substrates

Bioorg Med Chem Lett 6: 1673-1676 (1996)


Article DOI: 10.1016/0960-894X(96)00290-9
BindingDB Entry DOI: 10.7270/Q2H70FSC
More data for this
Ligand-Target Pair