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BDBM50183086 3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)propyl acetate::CHEMBL378460

SMILES: CC(=O)OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FSWBIKQBUVIPHY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183086   
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
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183086
PNG
(3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)b...)
Show SMILES CC(=O)OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39NO4/c1-26(35)38-25-9-10-27-16-18-28(19-17-27)32(36)15-8-22-34-23-20-31(21-24-34)33(37,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,31,37H,8-10,15,20-25H2,1H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair