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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent calcium channel subunit alpha-2/delta-1' and Ligand = 'BDBM50140628'   
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 calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140628
PNG
(6-(4-Ethoxy-phenyl)-1-(3-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3cccc(OC)c3)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-20-12-10-19(11-13-20)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-8-7-9-21(14-18)28-5/h7-14H,6H2,1-5H3
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 335n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair