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SMILES: Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1

InChI Key: InChIKey=PECNNRFECBMDBM-UHFFFAOYSA-N

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 5 hits for monomerid = 50031464   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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antibodypedia
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PubMed
15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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PubMed
76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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Article
PubMed
79n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair