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BDBM50052687 CHEMBL114705::N-[5-(3-Cyclohexyl-propionylamino)-2-methyl-phenyl]-nicotinamide

SMILES: Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1cccnc1

InChI Key: InChIKey=JRTFWXSLVFPRGP-UHFFFAOYSA-N

Data: 1 EC50

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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 = 50052687   
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
LDL receptor


(Homo sapiens (Human))
BDBM50052687
PNG
(CHEMBL114705 | N-[5-(3-Cyclohexyl-propionylamino)-...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1cccnc1
Show InChI InChI=1S/C22H27N3O2/c1-16-9-11-19(24-21(26)12-10-17-6-3-2-4-7-17)14-20(16)25-22(27)18-8-5-13-23-15-18/h5,8-9,11,13-15,17H,2-4,6-7,10,12H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

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Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


J Med Chem 39: 3343-56 (1996)


Article DOI: 10.1021/jm960153q
BindingDB Entry DOI: 10.7270/Q2FT8K4S
More data for this
Ligand-Target Pair