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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50017442'   
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 1A


(Rattus norvegicus (rat))
BDBM50017442
PNG
(3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C22H28F3N3O4S/c23-22(24,25)15-4-3-5-16(14-15)27-12-10-26(11-13-27)8-1-2-9-28-21(29)19-17-6-7-18(32-17)20(19)33(28,30)31/h3-5,14,17-20H,1-2,6-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
22n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 15 - 31


J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair