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BDBM50069252 3-Benzhydrylidene-1-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-2,5-dione::CHEMBL144158

SMILES: Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1

InChI Key: InChIKey=SLHOTSULTKLUPX-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 = 50069252   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50069252
PNG
(3-Benzhydrylidene-1-{2-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28FN3O2/c30-24-11-13-25(14-12-24)32-18-15-31(16-19-32)17-20-33-27(34)21-26(29(33)35)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15-21H2
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529n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]prazosin as radioligand


Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50069252
PNG
(3-Benzhydrylidene-1-{2-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28FN3O2/c30-24-11-13-25(14-12-24)32-18-15-31(16-19-32)17-20-33-27(34)21-26(29(33)35)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15-21H2
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A (5-HT1A) receptor in rat cerebral cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 42: 36-49 (1999)


Article DOI: 10.1021/jm980285e
BindingDB Entry DOI: 10.7270/Q2B27TFT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50069252
PNG
(3-Benzhydrylidene-1-{2-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28FN3O2/c30-24-11-13-25(14-12-24)32-18-15-31(16-19-32)17-20-33-27(34)21-26(29(33)35)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15-21H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 in rat striatum membrane using [3H]-raclopride as radioligand


Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50069252
PNG
(3-Benzhydrylidene-1-{2-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28FN3O2/c30-24-11-13-25(14-12-24)32-18-15-31(16-19-32)17-20-33-27(34)21-26(29(33)35)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15-21H2
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 of rat striatal membranes using [3H]- raclopride


J Med Chem 42: 36-49 (1999)


Article DOI: 10.1021/jm980285e
BindingDB Entry DOI: 10.7270/Q2B27TFT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50069252
PNG
(3-Benzhydrylidene-1-{2-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28FN3O2/c30-24-11-13-25(14-12-24)32-18-15-31(16-19-32)17-20-33-27(34)21-26(29(33)35)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15-21H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against serotonin 5-HT1A receptor in rat cerebral cortex membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair