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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.3
BDBM372613

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))
BDBM372613
PNG
(N-[2-(3-Cyano-4-fluoro-benzyl)-2H-[1,2,3]triazol-4...)
Show SMILES Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(c4)C#N)n3)ccc12
Show InChI InChI=1S/C20H16FN7O/c1-27-18-5-3-13(6-16(18)10-23-27)8-20(29)25-19-11-24-28(26-19)12-14-2-4-17(21)15(7-14)9-22/h2-7,10-11H,8,12H2,1H3,(H,25,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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