BDBM50183079 4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-propylphenyl)butan-1-one::CHEMBL208528

SMILES: CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=PBIBEWTURATALQ-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50183079   

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))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	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
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	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 CYP2B6				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	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 CYP2C9				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+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 CYP3A4				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
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 CYP2C8				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