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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S' and Ligand = 'BDBM50228796'   
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 L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50228796
PNG
(CHEMBL330707)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OC(C)C)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16|
Show InChI InChI=1S/C18H21N3O6S/c1-5-26-16(22)14-11(4)19-17(28)20(18(23)27-10(2)3)15(14)12-7-6-8-13(9-12)21(24)25/h6-10,15,22H,5H2,1-4H3/b16-14+
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Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair