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BDBM50369610 CHEMBL118702

SMILES: CC(C)(C)NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=NSDOBQVDOKRBRV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369610   
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))
BDBM50369610
PNG
(CHEMBL118702)
Show SMILES CC(C)(C)NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C22H28N2O2S2/c1-21(2,3)23-19(25)15-11-7-9-13-17(15)27-28-18-14-10-8-12-16(18)20(26)24-22(4,5)6/h7-14H,1-6H3,(H,23,25)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+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