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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 alpha-1C/alpha-1D/alpha-1F/alpha-1S' and Ligand = 'BDBM50105112'   
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 alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50105112
PNG
(1-[4-(3-Benzyloxy-4-methoxy-benzyl)-piperazin-1-yl...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)CCn2cc(C)c3ccccc23)cc1OCc1ccccc1
Show InChI InChI=1S/C31H35N3O3/c1-24-21-34(28-11-7-6-10-27(24)28)15-14-31(35)33-18-16-32(17-19-33)22-26-12-13-29(36-2)30(20-26)37-23-25-8-4-3-5-9-25/h3-13,20-21H,14-19,22-23H2,1-2H3
PDB

KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/a 4.84E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against L-type calcium channel verapamil site


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair