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BDBM50304800 (S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine::CHEMBL594469

SMILES: Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1

InChI Key: InChIKey=PUSWEWCVDWRQPZ-KRWDZBQOSA-N

Data: 3 KI  3 EC50

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 6 hits for monomerid = 50304800   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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153n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2B receptor by FLIPR assay


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2A receptor by FLIPR assay


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair