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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50079940'   
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079940
PNG
(CHEMBL324076 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...)
Show SMILES C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-2-5-18-17(4-1)24-14-16(25-18)13-23-10-6-15(7-11-23)12-22-19-20-8-3-9-21-19/h1-5,8-9,15-16H,6-7,10-14H2,(H,20,21,22)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079940
PNG
(CHEMBL324076 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...)
Show SMILES C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-2-5-18-17(4-1)24-14-16(25-18)13-23-10-6-15(7-11-23)12-22-19-20-8-3-9-21-19/h1-5,8-9,15-16H,6-7,10-14H2,(H,20,21,22)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
463n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair