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BDBM50095765 1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine::1-[Bis-(4-fluoro-phenyl)-methyl]-4-(2,3,4-trimethoxy-benzyl)-piperazine(Lomerizine)::CHEMBL29188::Lomerizine

SMILES: COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC

InChI Key: InChIKey=JQSAYKKFZOSZGJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095765   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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/alpha-1B/alpha-2/delta-1


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50095765
PNG
(1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)m...)
Show SMILES COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC
Show InChI InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 90n/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
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50095765
PNG
(1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)m...)
Show SMILES COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC
Show InChI InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.43E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair