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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit beta-1/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1' and Ligand = 'BDBM50481868'   
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 L-type calcium channel subunit beta-1/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50481868
PNG
(CHEMBL1088610)
Show SMILES O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C32H34N2O4/c35-30(17-8-7-15-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)33-20-22-34(23-21-33)31(36)19-18-27-14-9-16-29-32(27)38-24-37-29/h1-6,9-14,16,18-19,28H,7-8,15,17,20-24H2/b19-18+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Blocking of rat N-type calcium channel alpha-1B/alpha-2-delta-1/beta-1b activity expressed in HEK293 cells assessed as whole cell current by whole ce...


Bioorg Med Chem Lett 19: 6467-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.008
BindingDB Entry DOI: 10.7270/Q2PV6P57
More data for this
Ligand-Target Pair