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BDBM50182744 CHEMBL3818669

SMILES: O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12

InChI Key: InChIKey=CXXWGJNYYONTKW-UHFFFAOYSA-N

Data: 4 KI

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 = 50182744   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50182744
PNG
(CHEMBL3818669)
Show SMILES O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O2/c23-19-17-9-3-4-10-18(17)20(24)22(19)12-6-5-11-21-13-15-7-1-2-8-16(15)14-21/h1-4,7-10H,5-6,11-14H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50182744
PNG
(CHEMBL3818669)
Show SMILES O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O2/c23-19-17-9-3-4-10-18(17)20(24)22(19)12-6-5-11-21-13-15-7-1-2-8-16(15)14-21/h1-4,7-10H,5-6,11-14H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182744
PNG
(CHEMBL3818669)
Show SMILES O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O2/c23-19-17-9-3-4-10-18(17)20(24)22(19)12-6-5-11-21-13-15-7-1-2-8-16(15)14-21/h1-4,7-10H,5-6,11-14H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.35E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182744
PNG
(CHEMBL3818669)
Show SMILES O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O2/c23-19-17-9-3-4-10-18(17)20(24)22(19)12-6-5-11-21-13-15-7-1-2-8-16(15)14-21/h1-4,7-10H,5-6,11-14H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.36E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair