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BDBM50327591 5-methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one::CHEMBL1257859

SMILES: Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12

InChI Key: InChIKey=VPAUPKOMHDFAMG-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 = 50327591   
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))
BDBM50327591
PNG
(5-methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)b...)
Show SMILES Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-20-17-22-19-28-27(31)24(22)18-26(20)32-16-5-4-11-29-12-14-30(15-13-29)25-10-6-8-21-7-2-3-9-23(21)25/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3,(H,28,31)
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Article
PubMed
0.803n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay


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))
BDBM50327591
PNG
(5-methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)b...)
Show SMILES Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-20-17-22-19-28-27(31)24(22)18-26(20)32-16-5-4-11-29-12-14-30(15-13-29)25-10-6-8-21-7-2-3-9-23(21)25/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3,(H,28,31)
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Article
PubMed
2.46n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50327591
PNG
(5-methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)b...)
Show SMILES Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-20-17-22-19-28-27(31)24(22)18-26(20)32-16-5-4-11-29-12-14-30(15-13-29)25-10-6-8-21-7-2-3-9-23(21)25/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3,(H,28,31)
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Article
PubMed
36.8n/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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50327591
PNG
(5-methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)b...)
Show SMILES Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-20-17-22-19-28-27(31)24(22)18-26(20)32-16-5-4-11-29-12-14-30(15-13-29)25-10-6-8-21-7-2-3-9-23(21)25/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3,(H,28,31)
PDB

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Article
PubMed
504n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from human serotonin transporter expressed in HEK 293 cells by scintillation proximity assay


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