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SMILES: Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1

InChI Key: InChIKey=HKFMQJUJWSFOLY-OAQYLSRUSA-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 9 hits for monomerid = 50027256   
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


(Rattus norvegicus (rat))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]OH-DPAT from rat cortex 5HT1A receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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19n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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2.14E+3n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat cortex 5HT2A receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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n/an/a<6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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n/an/an/an/a 78n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor in HeLa cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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n/an/a<6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
PDB

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n/an/a<6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to human dopaminergic D3 receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
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n/an/a<6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to human dopaminergic D2 receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50027256
PNG
(Sarizotan)
Show SMILES Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
Show InChI InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
Reactome pathway
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n/an/a<6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to human dopaminergic D4 receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair