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SMILES: COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O

InChI Key: InChIKey=DTBJXJOVJQUJFV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50301432   
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))
BDBM50301432
PNG
(2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3
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PC sid
UniChem

Similars

Article
PubMed
20.5n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


Eur J Med Chem 44: 4702-15 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.007
BindingDB Entry DOI: 10.7270/Q28C9W93
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301432
PNG
(2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3
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PC sid
UniChem

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Article
PubMed
32.4n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


Eur J Med Chem 46: 142-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.026
BindingDB Entry DOI: 10.7270/Q2251JFS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50301432
PNG
(2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
50.4n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting


Eur J Med Chem 46: 142-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.026
BindingDB Entry DOI: 10.7270/Q2251JFS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50301432
PNG
(2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
71.6n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting


Eur J Med Chem 44: 4702-15 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.007
BindingDB Entry DOI: 10.7270/Q28C9W93
More data for this
Ligand-Target Pair