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SMILES: CCCN1C(C(C(=O)OCC)=C(C)N=C1S)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=NMUYSGNBSUTZOC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50228806   
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))		BDBM50228806
PNG
(CHEMBL261982)
Show SMILES CCCN1C(C(C(=O)OCC)=C(C)N=C1S)c1cccc(c1)[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H21N3O4S/c1-4-9-19-15(12-7-6-8-13(10-12)20(22)23)14(16(21)24-5-2)11(3)18-17(19)25/h6-8,10,15H,4-5,9H2,1-3H3,(H,18,25)
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Similars
PubMed
n/an/a 50n/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