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BDBM50045887 2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl-acetamide::CHEMBL97845

SMILES: CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1

InChI Key: InChIKey=STVCWSLDTGQYHA-UHFFFAOYSA-N

Data: 1 KI  8 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 9 hits for monomerid = 50045887   
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))
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
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...)
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]naxolone from opiate receptor of rat brain


J Med Chem 36: 2908-20 (1993)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50045887
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dipropyl...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation

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)


Article DOI: 10.1021/jm00072a010
BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair