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SMILES: CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1

InChI Key: InChIKey=YJAIZWWQRYKSON-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50398965   
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 4


(Homo sapiens (Human))
BDBM50398965
PNG
(CHEMBL2179670)
Show SMILES CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-20(33)29-23-9-7-21(8-10-23)11-14-32-15-12-22(13-16-32)19-34-28-26-18-31(2)17-25(26)24-5-3-4-6-27(24)30-28/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,29,33)
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PC sid
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


J Med Chem 55: 9446-66 (2012)


Article DOI: 10.1021/jm300573d
BindingDB Entry DOI: 10.7270/Q27082JT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50398965
PNG
(CHEMBL2179670)
Show SMILES CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-20(33)29-23-9-7-21(8-10-23)11-14-32-15-12-22(13-16-32)19-34-28-26-18-31(2)17-25(26)24-5-3-4-6-27(24)30-28/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,29,33)
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KEGG

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Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


J Med Chem 55: 9446-66 (2012)


Article DOI: 10.1021/jm300573d
BindingDB Entry DOI: 10.7270/Q27082JT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50398965
PNG
(CHEMBL2179670)
Show SMILES CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-20(33)29-23-9-7-21(8-10-23)11-14-32-15-12-22(13-16-32)19-34-28-26-18-31(2)17-25(26)24-5-3-4-6-27(24)30-28/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,29,33)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 55: 9446-66 (2012)


Article DOI: 10.1021/jm300573d
BindingDB Entry DOI: 10.7270/Q27082JT
More data for this
Ligand-Target Pair