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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50061555'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061555
PNG
(8-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...)
Show SMILES COc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(C)CC1 |c:14|
Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(24-2)13-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061555
PNG
(8-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...)
Show SMILES COc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(C)CC1 |c:14|
Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(24-2)13-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair