BDBM50017716 2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl ester::2-(diethylamino)ethyl 2,2-diphenylpentanoate::2-Benzhydryl-pentanoic acid 2-diethylamino-ethyl ester::CHEMBL282567::PROADIFEN HYDROCHLORIDE
SMILES: CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
InChI Key: InChIKey=SNTQPLDRUZOSDP-UHFFFAOYSA-N
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 |
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Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand | Bioorg Med Chem Lett 14: 2217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.02.018 BindingDB Entry DOI: 10.7270/Q2R210T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.55E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 4B1 (Homo sapiens) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of CYP450 (unknown origin) | J Med Chem 63: 10135-10157 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde oxidase (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human aldehyde oxidase | J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type I I alpha subunit (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... | J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats | J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description The compound was tested for affinity towards sigma-3 receptor | J Med Chem 37: 4109-17 (1995) BindingDB Entry DOI: 10.7270/Q2QF8V57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B1 (Rattus norvegicus) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats | J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | <1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde oxidase (Rattus norvegicus) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of rat aldehyde oxidase | J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde oxidase (Rattus norvegicus) | BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of rat aldehyde oxidase | J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G | |||||||||||
More data for this Ligand-Target Pair |