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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 304.3
BDBM50406781

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

Found 1 hit 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 1D


(Sus scrofa)
BDBM50406781
PNG
(CHEMBL434974)
Show SMILES NCCc1c[nH]c2ccc(cc12)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C18H16N4O/c19-9-8-14-11-20-16-7-6-13(10-15(14)16)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 79n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor in pig caudate membrane


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair