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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50227831'   
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
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227831
PNG
(CHEMBL52242)
Show SMILES COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
Show InChI InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
1.20n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227831
PNG
(CHEMBL52242)
Show SMILES COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
Show InChI InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair