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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent N-type calcium channel subunit alpha-1B' and Ligand = 'BDBM50465790'   
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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50465790
PNG
(CHEMBL4284117)
Show SMILES CC1(C)CC(CC(C)(C)O1)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccn1
Show InChI InChI=1S/C23H26ClN3O/c1-22(2)14-17(15-23(3,4)28-22)19-13-20(16-8-10-18(24)11-9-16)27(26-19)21-7-5-6-12-25-21/h5-13,17H,14-15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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


(Homo sapiens (Human))
BDBM50465790
PNG
(CHEMBL4284117)
Show SMILES CC1(C)CC(CC(C)(C)O1)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccn1
Show InChI InChI=1S/C23H26ClN3O/c1-22(2)14-17(15-23(3,4)28-22)19-13-20(16-8-10-18(24)11-9-16)27(26-19)21-7-5-6-12-25-21/h5-13,17H,14-15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/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