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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 = 'BDBM50461286'   
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))		BDBM50461286
PNG
(CHEMBL4224963)
Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCNC(N)=N)cc1)c1nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2s1
Show InChI InChI=1S/C26H26F3N5O2S/c1-34(16-17-6-8-19(9-7-17)35-13-3-12-32-24(30)31)25-33-22-11-10-21(15-23(22)37-25)36-20-5-2-4-18(14-20)26(27,28)29/h2,4-11,14-15H,3,12-13,16H2,1H3,(H4,30,31,32)
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PC cid
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UniChem
Article
PubMed
n/an/a 2.02E+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