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SMILES: CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=UQDUODRSYJTCBO-FYWRMAATSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50228808   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50228808
PNG
(CHEMBL86415)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1[N+]([O-])=O |c:15|
Show InChI InChI=1S/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-8-6-7-9-12(11)20(23)24/h6-9,14,21H,4-5H2,1-3H3/b15-13+
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PC cid
PC sid
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Similars
PubMed
n/an/a 3.10n/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