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SMILES: O[C@H](CN1[C@@H](CN(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1)C(F)(F)F

InChI Key: InChIKey=ZAEIYQNAJXYJID-XZOQPEGZSA-N

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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 = 179499   
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
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179499
PNG
(US9126976, 30)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF3N2O/c25-19-10-6-7-17(13-19)14-29-15-22(18-8-2-1-3-9-18)30(16-23(31)24(26,27)28)21-12-5-4-11-20(21)29/h1-13,22-23,31H,14-16H2/t22-,23+/m0/s1
PDB
MMDB

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PC cid
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Similars

US Patent
n/an/a 1.40E+3n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...


US Patent US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair