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BDBM50290507 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-6-{4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-3H-benzothiazol-2-one::CHEMBL87745

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1

InChI Key: InChIKey=QUYWOUGBIFGWJT-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50290507   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50290507
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
Show InChI InChI=1S/C36H40F4N4O2S/c37-30-10-8-27(9-11-30)34(45)28-13-16-42(17-14-28)20-23-44-32-12-7-26(24-33(32)47-35(44)46)4-1-2-15-41-18-21-43(22-19-41)31-6-3-5-29(25-31)36(38,39)40/h3,5-12,24-25,28H,1-2,4,13-23H2
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Article
30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride


Bioorg Med Chem Lett 7: 2579-2584 (1997)


Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50290507
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
Show InChI InChI=1S/C36H40F4N4O2S/c37-30-10-8-27(9-11-30)34(45)28-13-16-42(17-14-28)20-23-44-32-12-7-26(24-33(32)47-35(44)46)4-1-2-15-41-18-21-43(22-19-41)31-6-3-5-29(25-31)36(38,39)40/h3,5-12,24-25,28H,1-2,4,13-23H2
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Article
50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin


Bioorg Med Chem Lett 7: 2579-2584 (1997)


Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50290507
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
Show InChI InChI=1S/C36H40F4N4O2S/c37-30-10-8-27(9-11-30)34(45)28-13-16-42(17-14-28)20-23-44-32-12-7-26(24-33(32)47-35(44)46)4-1-2-15-41-18-21-43(22-19-41)31-6-3-5-29(25-31)36(38,39)40/h3,5-12,24-25,28H,1-2,4,13-23H2
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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 7: 2579-2584 (1997)


Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50290507
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
Show InChI InChI=1S/C36H40F4N4O2S/c37-30-10-8-27(9-11-30)34(45)28-13-16-42(17-14-28)20-23-44-32-12-7-26(24-33(32)47-35(44)46)4-1-2-15-41-18-21-43(22-19-41)31-6-3-5-29(25-31)36(38,39)40/h3,5-12,24-25,28H,1-2,4,13-23H2
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Article
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin


Bioorg Med Chem Lett 7: 2579-2584 (1997)


Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50290507
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
Show InChI InChI=1S/C36H40F4N4O2S/c37-30-10-8-27(9-11-30)34(45)28-13-16-42(17-14-28)20-23-44-32-12-7-26(24-33(32)47-35(44)46)4-1-2-15-41-18-21-43(22-19-41)31-6-3-5-29(25-31)36(38,39)40/h3,5-12,24-25,28H,1-2,4,13-23H2
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Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor in rat choroid plexus using [3H]-N-methyl-mesulergine


Bioorg Med Chem Lett 7: 2579-2584 (1997)


Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR
More data for this
Ligand-Target Pair