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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent T-type calcium channel subunit alpha-1H' and Ligand = 'BDBM50322926'   
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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322926
PNG
((2S)-methyl 3-tert-butoxy-2-(1-(4-chlorophenyl)-2-...)
Show SMILES COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33ClFN3O5/c1-27(2,3)38-17-22(24(34)37-4)31-26(36)32-14-12-28(13-15-32)23(18-8-10-19(29)11-9-18)33(25(28)35)21-7-5-6-20(30)16-21/h5-11,16,22-23H,12-15,17H2,1-4H3,(H,31,36)/t22-,23?/m0/s1
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Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair