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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.4
BDBM372582

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))
BDBM372582
PNG
(N-[2-(3,5-Difluoro-4-methoxy-benzyl)-2H-[1,2,3]tri...)
Show SMILES COc1c(F)cc(Cn2ncc(NC(=O)Cc3ccc(OCC4COC4)cc3)n2)cc1F
Show InChI InChI=1S/C22H22F2N4O4/c1-30-22-18(23)6-15(7-19(22)24)10-28-25-9-20(27-28)26-21(29)8-14-2-4-17(5-3-14)32-13-16-11-31-12-16/h2-7,9,16H,8,10-13H2,1H3,(H,26,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 86n/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