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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.4
BDBM372465

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))
BDBM372465
PNG
(N-[2-(3,4-Difluoro-benzyl)-2H-[1,2,3]triazol-4-yl]...)
Show SMILES CN1C(=O)C(C)(C)c2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc12
Show InChI InChI=1S/C22H21F2N5O2/c1-22(2)15-8-13(5-7-18(15)28(3)21(22)31)10-20(30)26-19-11-25-29(27-19)12-14-4-6-16(23)17(24)9-14/h4-9,11H,10,12H2,1-3H3,(H,26,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.70n/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