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BDBM50069261 3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-butyl]-pyrrolidine-2,5-dione::CHEMBL342995::cid_9511286

SMILES: O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1

InChI Key: InChIKey=QFESFPVBIJPECI-UHFFFAOYSA-N

Data: 5 KI  1 EC50

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 6 hits for monomerid = 50069261   
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))
BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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6.40n/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))
BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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125n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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Article
PubMed
125n/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))
BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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PCBioAssay
n/an/an/an/a 3.77E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair