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SMILES: CCOC(=O)C1=C(C)NC(SCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC

InChI Key: InChIKey=GODISNLWEDTPGJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50227246   
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))		BDBM50227246
PNG
(CHEMBL3392282)
Show SMILES CCOC(=O)C1=C(C)NC(SCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,12|
Show InChI InChI=1S/C20H24N2O6S/c1-5-27-19(23)15-12(4)21-18(29-7-3)17(20(24)28-6-2)16(15)13-9-8-10-14(11-13)22(25)26/h8-11,16,21H,5-7H2,1-4H3
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PC cid
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Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (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