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3 similar compounds to monomer 50327608

Compile data set for download or QSAR
Wt: 421.5
BDBM50327628
Wt: 421.5
BDBM50327575
Wt: 407.5
BDBM50327581

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50327628,50327575,50327581   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50327575
PNG
(6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)
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0.279n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50327581
PNG
(6-(4-(4-(1,3-dihydroisobenzofuran-4-yl)piperazin-1...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12
Show InChI InChI=1S/C24H29N3O3/c28-24-21-14-20(7-6-18(21)15-25-24)30-13-2-1-8-26-9-11-27(12-10-26)23-5-3-4-19-16-29-17-22(19)23/h3-7,14H,1-2,8-13,15-17H2,(H,25,28)
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0.575n/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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327628
PNG
(6-(4-(4-(isochroman-5-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCCc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-23-16-21(7-6-19(23)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-20-18-30-15-8-22(20)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)
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1.99n/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))
BDBM50327575
PNG
(6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)
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5.44n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327581
PNG
(6-(4-(4-(1,3-dihydroisobenzofuran-4-yl)piperazin-1...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12
Show InChI InChI=1S/C24H29N3O3/c28-24-21-14-20(7-6-18(21)15-25-24)30-13-2-1-8-26-9-11-27(12-10-26)23-5-3-4-19-16-29-17-22(19)23/h3-7,14H,1-2,8-13,15-17H2,(H,25,28)
UniProtKB/SwissProt

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6.88n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50327628
PNG
(6-(4-(4-(isochroman-5-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCCc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-23-16-21(7-6-19(23)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-20-18-30-15-8-22(20)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)
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11.2n/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))
BDBM50327628
PNG
(6-(4-(4-(isochroman-5-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCCc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-23-16-21(7-6-19(23)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-20-18-30-15-8-22(20)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)
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11.5n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50327575
PNG
(6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)
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22.3n/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))
BDBM50327581
PNG
(6-(4-(4-(1,3-dihydroisobenzofuran-4-yl)piperazin-1...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12
Show InChI InChI=1S/C24H29N3O3/c28-24-21-14-20(7-6-18(21)15-25-24)30-13-2-1-8-26-9-11-27(12-10-26)23-5-3-4-19-16-29-17-22(19)23/h3-7,14H,1-2,8-13,15-17H2,(H,25,28)
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126n/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