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BDBM50369605 CHEMBL117004

SMILES: CC1(CCCCC1)C(=O)Nc1ccccc1OC(=O)Cc1ccccc1

InChI Key: InChIKey=FMSSZDIKCKZIRN-UHFFFAOYSA-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 = 50369605   
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))
BDBM50369605
PNG
(CHEMBL117004)
Show SMILES CC1(CCCCC1)C(=O)Nc1ccccc1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-22(14-8-3-9-15-22)21(25)23-18-12-6-7-13-19(18)26-20(24)16-17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3,(H,23,25)
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit 50% of cholesteryl ester transfer protein mediated cholesteryl ester transfer from HDL to VLDL and LDL in ...


J Med Chem 43: 3566-72 (2000)


BindingDB Entry DOI: 10.7270/Q22J6CK6
More data for this
Ligand-Target Pair