BDBM50183083 4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-methoxyphenyl)butan-1-one::CHEMBL383199

SMILES: COc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=TWIPPDALRSWINY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183083   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183083 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-m...) Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO3/c1-33-27-16-14-23(15-17-27)28(31)13-8-20-30-21-18-26(19-22-30)29(32,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26,32H,8,13,18-22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/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