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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-gated calcium channel subunit alpha Cav2.2' and Ligand = 'BDBM50399548'   
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-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399548
PNG
(CHEMBL2180896)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N2O4S/c24-22(25,26)16-2-1-3-20(14-16)36(33,34)31(17-6-7-17)18-10-12-30(13-11-18)21(32)15-4-8-19(9-5-15)35-23(27,28)29/h1-5,8-9,14,17-18H,6-7,10-13H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair