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BDBM50045892 2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-acetamide::CHEMBL98613

SMILES: CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1

InChI Key: InChIKey=PTGATLWXYMGNRM-UHFFFAOYSA-N

Data: 1 KI  8 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50045892   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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2.30n/an/an/an/an/an/an/an/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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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 alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [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
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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
CCKBR


(RAT)
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50045892
PNG
(2-[5-Chloro-2-(4-fluoro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H36ClFN2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-22(29)13-16-26(24)31-28(25)21-11-14-23(30)15-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/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