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3 similar compounds to monomer 50056038

Compile data set for download or QSAR
Wt: 358.4
BDBM56002
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Wt: 386.5
BDBM76309
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Wt: 314.3
BDBM50362857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 56002,76309,50362857   
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
Dopamine receptor


(RAT)
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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PubMed
7.40n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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37n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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57.6n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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62.9n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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Article
PubMed
207n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 1 isoform 1


(Homo sapiens (Human))
BDBM76309
PNG
(1-[6-(4-Fluoro-phenoxy)-hexyl]-4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H31FN2O2/c1-27-23-9-5-4-8-22(23)26-17-15-25(16-18-26)14-6-2-3-7-19-28-21-12-10-20(24)11-13-21/h4-5,8-13H,2-3,6-7,14-19H2,1H3
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MMDB

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PCBioAssay
n/an/a 9.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22Z140X
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM76309
PNG
(1-[6-(4-Fluoro-phenoxy)-hexyl]-4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H31FN2O2/c1-27-23-9-5-4-8-22(23)26-17-15-25(16-18-26)14-6-2-3-7-19-28-21-12-10-20(24)11-13-21/h4-5,8-13H,2-3,6-7,14-19H2,1H3
PDB
MMDB

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PCBioAssay
n/an/a 1.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TD9VTQ
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM56002
PNG
(1-[4-(4-fluoranylphenoxy)butyl]-4-(2-methoxyphenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H27FN2O2/c1-25-21-7-3-2-6-20(21)24-15-13-23(14-16-24)12-4-5-17-26-19-10-8-18(22)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3
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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM56002
PNG
(1-[4-(4-fluoranylphenoxy)butyl]-4-(2-methoxyphenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H27FN2O2/c1-25-21-7-3-2-6-20(21)24-15-13-23(14-16-24)12-4-5-17-26-19-10-8-18(22)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3
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PCBioAssay
n/an/an/an/a 7.52E+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