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BDBM50288818 (R)-4-[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluoro-biphenyl-4-yl)-1-methyl-propylcarbamoyl]-3-methyl-butyric acid::CHEMBL356514

SMILES: C[C@@H](CC(O)=O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1

InChI Key: InChIKey=QZWRZJBKAUEGBI-IEGUWTFLSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288818   
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
Squalene synthetase


(Homo sapiens (Human))
BDBM50288818
PNG
((R)-4-[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluoro...)
Show SMILES C[C@@H](CC(O)=O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C28H28Cl2FNO3/c1-17(13-28(34)35)12-27(33)32-18(2)23(14-19-8-11-24(29)25(30)15-19)21-9-10-22(26(31)16-21)20-6-4-3-5-7-20/h3-11,15-18,23H,12-14H2,1-2H3,(H,32,33)(H,34,35)/t17-,18+,23-/m1/s1
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MMDB

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Article
n/an/a 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene synthase (SQS) obtained from HepG2 cells


Bioorg Med Chem Lett 6: 463-466 (1996)


Article DOI: 10.1016/0960-894X(96)00033-9
BindingDB Entry DOI: 10.7270/Q2MG7PG7
More data for this
Ligand-Target Pair