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BDBM50465786 CHEMBL4283590

SMILES: CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1

InChI Key: InChIKey=INYZUZHSHNWUOZ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50465786   
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 N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3


(Homo sapiens (Human))
BDBM50465786
PNG
(CHEMBL4283590)
Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of low frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated p...


Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3


(Homo sapiens (Human))
BDBM50465786
PNG
(CHEMBL4283590)
Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...


Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3


(Homo sapiens (Human))
BDBM50465786
PNG
(CHEMBL4283590)
Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated ...


Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair