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BDBM50327583 6-(4-(4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one::CHEMBL1257261

SMILES: Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F

InChI Key: InChIKey=BPPQBAPLPIUPNT-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 = 50327583   
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))
BDBM50327583
PNG
(6-(4-(4-(6,7-difluoronaphthalen-1-yl)piperazin-1-y...)
Show SMILES Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Show InChI InChI=1S/C26H27F2N3O2/c27-23-14-18-4-3-5-25(21(18)16-24(23)28)31-11-9-30(10-12-31)8-1-2-13-33-20-7-6-19-17-29-26(32)22(19)15-20/h3-7,14-16H,1-2,8-13,17H2,(H,29,32)
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Article
PubMed
1.30n/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))
BDBM50327583
PNG
(6-(4-(4-(6,7-difluoronaphthalen-1-yl)piperazin-1-y...)
Show SMILES Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Show InChI InChI=1S/C26H27F2N3O2/c27-23-14-18-4-3-5-25(21(18)16-24(23)28)31-11-9-30(10-12-31)8-1-2-13-33-20-7-6-19-17-29-26(32)22(19)15-20/h3-7,14-16H,1-2,8-13,17H2,(H,29,32)
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Article
PubMed
7.91n/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))
BDBM50327583
PNG
(6-(4-(4-(6,7-difluoronaphthalen-1-yl)piperazin-1-y...)
Show SMILES Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Show InChI InChI=1S/C26H27F2N3O2/c27-23-14-18-4-3-5-25(21(18)16-24(23)28)31-11-9-30(10-12-31)8-1-2-13-33-20-7-6-19-17-29-26(32)22(19)15-20/h3-7,14-16H,1-2,8-13,17H2,(H,29,32)
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PubMed
8.23n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327583
PNG
(6-(4-(4-(6,7-difluoronaphthalen-1-yl)piperazin-1-y...)
Show SMILES Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Show InChI InChI=1S/C26H27F2N3O2/c27-23-14-18-4-3-5-25(21(18)16-24(23)28)31-11-9-30(10-12-31)8-1-2-13-33-20-7-6-19-17-29-26(32)22(19)15-20/h3-7,14-16H,1-2,8-13,17H2,(H,29,32)
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Article
PubMed
1.86E+3n/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