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BDBM50477402 CHEMBL241503

SMILES: Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1

InChI Key: InChIKey=SHPCYESCSNRVRW-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50477402   
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


(Homo sapiens (Human))
BDBM50477402
PNG
(CHEMBL241503)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Show InChI InChI=1S/C26H28FN3O3/c1-17-5-7-20-21(28-17)3-2-4-22(20)32-14-13-30-11-9-18(10-12-30)15-19-6-8-23-26(25(19)27)29-24(31)16-33-23/h2-8,18H,9-16H2,1H3,(H,29,31)
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human cloned 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1033-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50477402
PNG
(CHEMBL241503)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Show InChI InChI=1S/C26H28FN3O3/c1-17-5-7-20-21(28-17)3-2-4-22(20)32-14-13-30-11-9-18(10-12-30)15-19-6-8-23-26(25(19)27)29-24(31)16-33-23/h2-8,18H,9-16H2,1H3,(H,29,31)
PDB

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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1033-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50477402
PNG
(CHEMBL241503)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Show InChI InChI=1S/C26H28FN3O3/c1-17-5-7-20-21(28-17)3-2-4-22(20)32-14-13-30-11-9-18(10-12-30)15-19-6-8-23-26(25(19)27)29-24(31)16-33-23/h2-8,18H,9-16H2,1H3,(H,29,31)
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PC sid
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human cloned 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1033-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50477402
PNG
(CHEMBL241503)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Show InChI InChI=1S/C26H28FN3O3/c1-17-5-7-20-21(28-17)3-2-4-22(20)32-14-13-30-11-9-18(10-12-30)15-19-6-8-23-26(25(19)27)29-24(31)16-33-23/h2-8,18H,9-16H2,1H3,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at SERT in rat cortical synaptosomes


Bioorg Med Chem Lett 17: 1033-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G
More data for this
Ligand-Target Pair