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SMILES: C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ncccc2C)c(=O)c1

InChI Key: InChIKey=DLAXWULAMBVPFO-LJQANCHMSA-N

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 2 hits for monomerid = 50365259   
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 3A


(Homo sapiens (Human))
BDBM50365259
PNG
(CHEMBL1958332)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ncccc2C)c(=O)c1 |r|
Show InChI InChI=1S/C24H28N4O2/c1-18-6-3-12-25-24(18)28-23(29)16-21(17-26-28)20-8-10-22(11-9-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
PDB

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Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)
BDBM50365259
PNG
(CHEMBL1958332)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ncccc2C)c(=O)c1 |r|
Show InChI InChI=1S/C24H28N4O2/c1-18-6-3-12-25-24(18)28-23(29)16-21(17-26-28)20-8-10-22(11-9-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair