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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.5
BDBM50143707

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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


(Homo sapiens (Human))
BDBM50143707
PNG
(2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...)
Show SMILES CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H33N3O4/c1-2-31-23(30)19-7-3-4-8-20(19)26-14-11-25(12-15-26)13-16-27-21(28)17-24(18-22(27)29)9-5-6-10-24/h3-4,7-8H,2,5-6,9-18H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.07n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143707
PNG
(2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...)
Show SMILES CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H33N3O4/c1-2-31-23(30)19-7-3-4-8-20(19)26-14-11-25(12-15-26)13-16-27-21(28)17-24(18-22(27)29)9-5-6-10-24/h3-4,7-8H,2,5-6,9-18H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29.0n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair