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BDBM50327588 5-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindoline::CHEMBL1258312

SMILES: C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12

InChI Key: InChIKey=FSOQNRYVHQRTNP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50327588   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50327588
PNG
(5-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...)
Show SMILES C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2
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Article
PubMed
0.149n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50327588
PNG
(5-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...)
Show SMILES C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2
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Article
PubMed
1.76n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50327588
PNG
(5-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...)
Show SMILES C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2
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PubMed
34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327588
PNG
(5-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...)
Show SMILES C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2
PDB
MMDB

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Article
PubMed
779n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair