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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 = 'BDBM50151948'   
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))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair