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BDBM61471 (3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-methoxy-benzyl)-amine::3-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-3-phenyl-1-propanamine;hydrochloride::3-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-3-phenyl-propan-1-amine;hydrochloride::3-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine;hydrochloride::MLS000556200::SMR000178107::[3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-p-anisyl-amine;hydrochloride::cid_2921524

SMILES: COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=MSMGILWIFGCKCS-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 61471   
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 6


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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PC sid
UniChem
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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UniChem
Article
PubMed
1.41E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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UniChem
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PubMed
1.56E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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PCBioAssay
n/an/a 965n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair