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SMILES: O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1

InChI Key: InChIKey=RZHBTLSHMLRZGG-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 2 hits for monomerid = 50316957   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50316957
PNG
(7-(4-(3-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)
Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1
Show InChI InChI=1S/C23H26N4O4/c28-21-8-6-16-5-7-17(15-19(16)24-21)30-14-2-9-26-10-12-27(13-11-26)20-4-1-3-18-22(20)31-23(29)25-18/h1,3-5,7,15H,2,6,8-14H2,(H,24,28)(H,25,29)
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PC cid
PC sid
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Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50316957
PNG
(7-(4-(3-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)
Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1
Show InChI InChI=1S/C23H26N4O4/c28-21-8-6-16-5-7-17(15-19(16)24-21)30-14-2-9-26-10-12-27(13-11-26)20-4-1-3-18-22(20)31-23(29)25-18/h1,3-5,7,15H,2,6,8-14H2,(H,24,28)(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
93n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair