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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM85863'   
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


(Homo sapiens (Human))
BDBM85863
PNG
(CAS_170493-63-7 | NSC_3045228 | Ro 600332)
Show SMILES CC(N)Cn1ccc2c1-c1cc(C)ccc1C2(C)C
Show InChI InChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3
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PC cid
PC sid
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Article
PubMed
3.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85863
PNG
(CAS_170493-63-7 | NSC_3045228 | Ro 600332)
Show SMILES CC(N)Cn1ccc2c1-c1cc(C)ccc1C2(C)C
Show InChI InChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3
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PC cid
PC sid
UniChem
Article
PubMed
13.8n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 365: 242-52 (2002)


Article DOI: 10.1007/s00210-001-0505-y
BindingDB Entry DOI: 10.7270/Q2W37TWZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM85863
PNG
(CAS_170493-63-7 | NSC_3045228 | Ro 600332)
Show SMILES CC(N)Cn1ccc2c1-c1cc(C)ccc1C2(C)C
Show InChI InChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair