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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent N-type calcium channel subunit alpha-1B' and Ligand = 'BDBM50461280'   
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))		BDBM50461280
PNG
(CHEMBL4225014)
Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1
Show InChI InChI=1S/C24H25N5O3S/c25-23(26)27-12-1-13-31-18-6-2-16(3-7-18)15-28-24-29-21-11-10-20(14-22(21)33-24)32-19-8-4-17(30)5-9-19/h2-11,14,30H,1,12-13,15H2,(H,28,29)(H4,25,26,27)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.53E+5n/an/an/an/an/an/a



IITB-Monash Research Academy

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 in human SH-SY5Y cells assessed as decrease in KCl-induced calcium mobilization measured after 600 secs post compound addition a...

Bioorg Med Chem 26: 3046-3059 (2018)


Article DOI: 10.1016/j.bmc.2018.03.031
BindingDB Entry DOI: 10.7270/Q2BC4253
More data for this
Ligand-Target Pair