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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.4
BDBM372594

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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM372594
PNG
(N-[2-(4-Fluoro-3-methoxy-benzyl)-2H-[1,2,3]triazol...)
Show SMILES COc1cc(Cn2ncc(NC(=O)Cc3ccc(cc3)C(C)C)n2)ccc1F
Show InChI InChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-18(22)19(10-16)28-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/a



University of Alberta



Assay Description
Stock solutions of test compounds are prepared to a concentration of 10 mM in DMSO. For the Cav3.2 assay, serial dilutions of the compounds are prepa...


J Med Chem 49: 1668-83 (2006)


BindingDB Entry DOI: 10.7270/Q2794709
More data for this
Ligand-Target Pair