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BDBM50412445 CHEMBL485630

SMILES: Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1

InChI Key: InChIKey=GHGGALKHUTUYDT-UHFFFAOYSA-N

Data: 4 KI

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

Found 4 hits for monomerid = 50412445   
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 1D


(Homo sapiens (Human))
BDBM50412445
PNG
(CHEMBL485630)
Show SMILES Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H27N3O4/c1-17-5-7-20-21(27-17)3-2-4-24(20)32-15-18-9-11-29(12-10-18)14-23(30)19-6-8-25-22(13-19)28-26(31)16-33-25/h2-8,13,18H,9-12,14-16H2,1H3,(H,28,31)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412445
PNG
(CHEMBL485630)
Show SMILES Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H27N3O4/c1-17-5-7-20-21(27-17)3-2-4-24(20)32-15-18-9-11-29(12-10-18)14-23(30)19-6-8-25-22(13-19)28-26(31)16-33-25/h2-8,13,18H,9-12,14-16H2,1H3,(H,28,31)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412445
PNG
(CHEMBL485630)
Show SMILES Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H27N3O4/c1-17-5-7-20-21(27-17)3-2-4-24(20)32-15-18-9-11-29(12-10-18)14-23(30)19-6-8-25-22(13-19)28-26(31)16-33-25/h2-8,13,18H,9-12,14-16H2,1H3,(H,28,31)
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PubMed
631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412445
PNG
(CHEMBL485630)
Show SMILES Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H27N3O4/c1-17-5-7-20-21(27-17)3-2-4-24(20)32-15-18-9-11-29(12-10-18)14-23(30)19-6-8-25-22(13-19)28-26(31)16-33-25/h2-8,13,18H,9-12,14-16H2,1H3,(H,28,31)
PDB

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PC sid
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Article
PubMed
794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair