BDBM50045877 2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylacetamide::2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-acetamide::CHEMBL63154::[N,N-di-n-hexyl-2-(4-fluorophenyl) indole-3-acetamide]
SMILES: CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
InChI Key: InChIKey=VUWXAQFLTSBUDB-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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Translocator protein (Homo sapiens (Human)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition of TSPO (unknown origin) | Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Binding affinity against mitochondrial DBI complex (peripheral benzodiazepine receptor) using primary cultures of glial cells | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brain and Mind Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]PK11195 from TSPO in rat cortex | J Med Chem 52: 581-92 (2009) Article DOI: 10.1021/jm8011678 BindingDB Entry DOI: 10.7270/Q2222VP0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peripheral-type benzodiazepine receptor (Mus musculus) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Displacement of [3H]-PK11195 binding from peripheral benzodiazepine receptor in MA-10 mouse tumor Leydig cells | J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Displacement of [3H]-PK11195 binding from peripheral benzodiazepine receptor in C6 rat glioma cell line | J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Translocator protein (Homo sapiens (Human)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Binding affinity to human PBR | Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]WB-4101 from alpha-adrenergic receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]L-365,260 from cholecystokinin receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity, measured by displacement [3H]-CP-55,940 from cannabinoid receptor (CB1) in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]clonidine from alpha-adrenergic receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]ketanserin from serotonin receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor beta (Rattus norvegicus (Rat)) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Tested for inhibitory activity by measuring its ability to displace [3H]3-PPP from opiate receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibition of [3H]naxolone binding to opiate receptors in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair |